SCHEMBL3756084

SCHEMBL3756084

CC(=O)Nc1ccc(S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccccc4S(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc34)c(O)c12.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.42

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
▸ THRB known ✓ P10828 2/20 0.42
▸ CA2 known ✓ P00918 1/20 0.36
▸ KMT2A Q03164 5/20 0.41
▸ POLB P06746 4/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ PKM P14618 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ NFKB1 P19838 3/20 0.41
▸ APEX1 P27695 3/20 0.41
▸ RECQL P46063 3/20 0.41
▸ BLM P54132 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ P2RX1 P51575 3/20 0.41
▸ P2RX3 P56373 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ STAT1 P42224 2/20 0.40

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
SCHEMBL840203 0.91 SLC7A11 (0.44) THRBKMT2APOLBTDP1LMNA
SCHEMBL29356610 0.91 SLC7A11 (0.44) THRBKMT2APOLBTDP1LMNA
SCHEMBL840202 0.91 SLC7A11 (0.44) THRBKMT2APOLBTDP1LMNA
SCHEMBL4801488 0.86 CD40 (0.46) THRBKMT2ATDP1HSD17B10MEN1
SCHEMBL4801447 0.86 CD40 (0.46) THRBKMT2ATDP1HSD17B10MEN1
SCHEMBL3756079 0.85 MEN1 (0.48) THRBKMT2ATDP1TSHRHSD17B10
SCHEMBL3756091 0.85 MEN1 (0.48) THRBKMT2ATDP1TSHRHSD17B10
SCHEMBL31279977 0.82 PRMT1 (0.48) THRBKMT2APOLBTDP1LMNA
SCHEMBL6120387 0.79 CA2 (0.52) THRBKMT2ATDP1HSD17B10MEN1
SCHEMBL184756 0.79 CA2 (0.52) THRBKMT2ATDP1HSD17B10MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391807-B2 Polymer laminate for a security and/or valuable document and method for the production thereof BUNDESDRUCKEREI GMBH (DE) 2019-08-27 — — US disclosed
US-20100295290-A1 POLYMER LAMINATE FOR A SECURITY AND/OR VALUABLE DOCUMENT AND METHOD FOR THE PRODUCTION THEREOF BUNDESDRUCKEREI GMBH (DE) 2010-11-25 — — US disclosed
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