SCHEMBL25323010

SCHEMBL25323010

Brc1ccnc(OC2CC2)c1.CC(C)(C)[O-].[Na+]

nearest known ligand 0.43

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 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.43
HCRTR2 O43614 7/20 0.43
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
AVPR1A P37288 3/20 0.34
ACVR2A P27037 4/20 0.33
TGFBR2 P37173 4/20 0.33
DGAT1 O75907 1/20 0.33
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL16695529 0.89 LOX (0.49) HCRTR1HCRTR2LOXLOXL2NPY1R
SCHEMBL29979964 0.89 LOX (0.49) HCRTR1HCRTR2LOXLOXL2NPY1R
SCHEMBL17448838 0.84 HCRTR1 (0.47) HCRTR1HCRTR2LOXLOXL2HDAC6
SCHEMBL20266990 0.82 LOX (0.54) HCRTR1HCRTR2LOXLOXL2NPY1R
SCHEMBL18150702 0.81 HCRTR1 (0.44) HCRTR1HCRTR2LOXLOXL2HDAC6
SCHEMBL18150701 0.81 HCRTR1 (0.44) HCRTR1HCRTR2LOXLOXL2HDAC6
SCHEMBL18159813 0.81 HCRTR1 (0.44) HCRTR1HCRTR2LOXLOXL2HDAC6
SCHEMBL30001347 0.81 LOX (0.60) HCRTR1HCRTR2LOXLOXL2NPY1R
SCHEMBL21729503 0.81 HCRTR1 (0.42) HCRTR1HCRTR2LOXLOXL2HDAC6
SCHEMBL21723114 0.79 HCRTR1 (0.45) HCRTR1HCRTR2LOXLOXL2

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
EP-4469455-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed