SCHEMBL27472003

SCHEMBL27472003

O=c1c(-c2ccc(F)cc2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1Cc1ccsc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.48
PTGS1 P23219 13/20 0.48
PKM P14618 2/20 0.40
MITF O75030 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKLR P30613 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
SCHEMBL27489275 0.89 PTGS2 (0.51) PTGS2PTGS1PKMMITFHTT
SCHEMBL27469590 0.85 PTGS2 (0.58) PTGS2PTGS1PKMMITFHTT
SCHEMBL27487170 0.84 PTGS2 (0.47) PTGS2PTGS1PKMMITFHTT
SCHEMBL27487892 0.84 PTGS2 (0.48) PTGS2PTGS1PKMMITFHTT
SCHEMBL27487530 0.83 PTGS2 (0.39) PTGS2PTGS1HTTRAB9A
SCHEMBL27486813 0.83 PTGS2 (0.53) PTGS2PTGS1HTTNPSR1
SCHEMBL4194416 0.83 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL27488606 0.82 PTGS2 (0.59) PTGS2PTGS1PKMMITFHTT
SCHEMBL27486811 0.81 PTGS2 (0.46) PTGS2PTGS1PKMMITFHTT
SCHEMBL27475807 0.79 PTGS2 (0.45) PTGS2PTGS1PKMMITFHTT

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