SCHEMBL25328164

SCHEMBL25328164

[Na+].[O-]c1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1

nearest known ligand 0.58

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
RAB9A P51151 7/20 0.58
MAPT P10636 5/20 0.58
LDHA P00338 4/20 0.49
AR P10275 5/20 0.49
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 2/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PTGER1 P34995 1/20 0.46
NPC1 O15118 5/20 0.46
MEN1 O00255 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 2/20 0.43

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
SCHEMBL25329191 0.81 RAB9A (0.59) RAB9AMAPTLDHAARHSD17B10
SCHEMBL25915558 0.77 RAB9A (0.56) RAB9AMAPTLDHAARHSD17B10
SCHEMBL21477026 0.75 RAB9A (0.53) RAB9AMAPTLDHAARSMN1; SMN2
SCHEMBL16273550 0.75 RAB9A (0.53) RAB9AMAPTLDHAARHSD17B10
SCHEMBL16273552 0.73 MAPT (0.51) RAB9AMAPTLDHAALDH1A1L3MBTL1
SCHEMBL21477021 0.72 LDHA (0.51) RAB9AMAPTLDHAARHSD17B10
SCHEMBL16273503 0.72 RAB9A (0.50) RAB9AMAPTLDHAARHSD17B10
SCHEMBL19683708 0.71 MAPT (0.75) RAB9AMAPTLDHAARHSD17B10
SCHEMBL12297713 0.71 RAB9A (0.75) RAB9AMAPTLDHAARHSD17B10
SCHEMBL25328215 0.70 MAPT (0.54) RAB9AMAPTHSD17B10SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141262-A1 BAX ACTIVATORS AND USE THEREOF IPSEN PHARMA S.A.S. (FR) 2023-07-27 WO disclosed