SCHEMBL27487525

SCHEMBL27487525

O=c1c(-c2ccc(F)cc2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46
PTGS2 P35354 9/20 0.42
PTGS1 P23219 8/20 0.42
USP7 Q93009 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL27486811 0.87 PTGS2 (0.46) PTGS2PTGS1KMT2ARAB9A
SCHEMBL27489264 0.85 PTGS2 (0.42) PTGS2PTGS1USP7KMT2ANPC1
SCHEMBL27487526 0.85 CYP1A2 (0.47) PTGS2PTGS1RAB9A
SCHEMBL27489270 0.85 PTGS2 (0.42) SRCBRAFKDRPTGS2PTGS1
SCHEMBL27487893 0.85 CYP1A2 (0.47) PTGS2PTGS1RAB9A
SCHEMBL27488603 0.85 PTGS2 (0.42) SRCBRAFKDRPTGS2PTGS1
SCHEMBL27469593 0.85 PTGS2 (0.55) SRCBRAFKDRPTGS2PTGS1
SCHEMBL27489268 0.82 PTGS2 (0.43) PTGS2PTGS1NPC1RAB9AALDH1A1
SCHEMBL27489265 0.82 PGR (0.46) BRAFKDRPTGS2PTGS1KMT2A
SCHEMBL4187247 0.82 PTGS2 (0.64) SRCBRAFKDRPTGS2PTGS1

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