SCHEMBL27488240

SCHEMBL27488240

O=c1c(-c2ccc(F)cc2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.45
PTGS1 P23219 13/20 0.45
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL27486811 0.90 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL27489273 0.87 PTGS2 (0.53) PTGS2PTGS1POLBMAPT
SCHEMBL4184284 0.85 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL27469590 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL27489275 0.84 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL27488606 0.81 PTGS2 (0.59) PTGS2PTGS1SMN1; SMN2
SCHEMBL27487892 0.80 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL27487170 0.80 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL27487525 0.79 SRC (0.46) PTGS2PTGS1POLB
SCHEMBL27472003 0.77 PTGS2 (0.48) PTGS2PTGS1

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