SCHEMBL886902

SCHEMBL886902

Nc1ccc(N=Nc2ccc([As](=O)([O-])O)cc2)cc1.[Na+]

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 3/20 0.47
CA2 known ✓ P00918 3/20 0.47
PTGS1 known ✓ P23219 1/20 0.32
PTGS2 known ✓ P35354 1/20 0.32
CYP2C19 P33261 2/20 0.53
MAPT P10636 6/20 0.52
RAB9A P51151 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CA9 Q16790 3/20 0.47
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
CYP2D6 P10635 2/20 0.37
POLB P06746 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Arsanilic Acid SCHEMBL1649934 0.88 TSHR (0.62) CYP2C19MAPTRAB9AMEN1KMT2A
SCHEMBL3406380 0.82 CYP2C19 (0.79) CYP2C19MAPTRAB9AMEN1KMT2A
SCHEMBL1527750 0.82 CYP2C19 (0.79) CYP2C19MAPTRAB9AMEN1KMT2A
SCHEMBL886903 0.81 CYP2C19 (0.76) CYP2C19MAPTRAB9AMEN1KMT2A
SCHEMBL886901 0.81 CYP2C19 (0.76) CYP2C19MAPTRAB9AMEN1KMT2A
SCHEMBL11329226 0.72 MAPT (1.00) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL16556 0.72 MAPT (1.00) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL11329248 0.72 MAPT (1.00) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL205992 0.72 MAPT (1.00) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL11329238 0.72 MAPT (1.00) MAPTRAB9AMEN1KMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196057-A1 METHOD FOR PREPARING A SURFACE ENHANCED RAMAN SPECTROSCOPY PARTICLE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-08-01 US claimed
US-20110070662-A1 RAMAN-ACTIVE REAGENTS AND THE USE THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-03-24 US claimed
US-20110070661-A1 RAMAN-ACTIVE REAGENTS AND THE USE THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-03-24 US claimed
EP-2255175-A1 MULTIPLEXED ANALYSIS METHODS USING SERS-ACTIVE NANOPARTICLES Morpho Detection, Inc. (US) 2010-12-01 EP claimed
US-7829348-B2 Raman-active reagents and the use thereof IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-11-09 US claimed
US-20100279272-A1 MULTIPLEXED ANALYSIS METHODS USING SERS-ACTIVE NANOPARTICLES GE HOMELAND PROTECTION, INC. 2010-11-04 US claimed
US-7824926-B1 Raman-active reagents and the use thereof IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-11-02 US claimed
WO-2009102598-A1 MULTIPLEXED ANALYSIS METHODS USING SERS-ACTIVE NANOPARTICLES GENERAL ELECTRIC COMPANY (US) 2009-08-20 WO claimed
US-20050089901-A1 Raman-active reagents and the use thereof NI, JING 2005-04-28 US claimed
US-10968474-B2 Devices for detecting target biological molecules from cells and viruses UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 2021-04-06 US disclosed
US-20190323069-A1 DEVICES FOR DETECTING TARGET BIOLOGICAL MOLECULES FROM CELLS AND VIRUSES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2019-10-24 US disclosed
US-10301667-B2 Devices for detecting target biological molecules from cells and viruses UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2019-05-28 US disclosed
US-10088478-B2 Fluorescence enhancing plasmonic nanoscopic gold films and assays based thereon THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-10-02 US disclosed
US-9823246-B2 Fluorescence enhancing plasmonic nanoscopic gold films and assays based thereon THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-11-21 US disclosed
US-20030211488-A1 Nanoparticle probs with Raman spectrocopic fingerprints for analyte detection NORTHWESTERN UNIVERSITY (US) 2003-11-13 US disclosed
EP-0587008-B1 Surface-enhanced raman spectroscopy immunoassy ABBOTT LAB (US) 1999-02-10 EP disclosed
US-5567628-A Surface-enhanced raman spectroscopy immunoassay method, composition and kit ABBOTT LABORATORIES (US) 1996-10-22 US disclosed
US-5445972-A Raman label and its conjugate in a ligand-binding assay for a test sample analyte ABBOTT LABORATORIES (US) 1995-08-29 US disclosed
US-5376556-A Surface-enhanced Raman spectroscopy immunoassay ABBOTT LABORATORIES (US) 1994-12-27 US disclosed
US-5266498-A Ligand binding assay for an analyte using surface-enhanced scattering (SERS) signal ABBOTT LABORATORIES (US) 1993-11-30 US disclosed