SCHEMBL27488246

SCHEMBL27488246

CCCOc1c(-c2ccc(C[SH](=O)=O)cc2)cnn(-c2cccc(Cl)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.44
MCHR1 Q99705 7/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL27472457 0.94 NPBWR1 (0.43) NPBWR1MCHR1NPC1RAB9AATM
SCHEMBL27472006 0.93 NPBWR1 (0.42) NPBWR1MCHR1NPC1RAB9AATM
SCHEMBL27522821 0.89 NPBWR1 (0.44) NPBWR1MCHR1NPC1RAB9ATP53
SCHEMBL27470569 0.89 SMO (0.37) NPBWR1MCHR1GAAMAPT
SCHEMBL27471091 0.87 NPBWR1 (0.44) NPBWR1MCHR1NPC1RAB9AATM
SCHEMBL27522818 0.86 NPC1 (0.47) NPBWR1MCHR1NPC1RAB9AATM
SCHEMBL4182886 0.85 NPBWR1 (0.45) NPBWR1MCHR1NPC1RAB9AATM
SCHEMBL27555439 0.85 NPBWR1 (0.45) NPBWR1MCHR1NPC1RAB9AATM
SCHEMBL4187509 0.84 PTGS2 (0.50) NPBWR1MCHR1NPC1RAB9AATM
SCHEMBL27488950 0.83 NPBWR1 (0.40) NPBWR1MCHR1NPC1RAB9APKM

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
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed