SCHEMBL8985378

SCHEMBL8985378

CN(C=O)c1ccc(-c2sc(C#N)cc2-c2ccc([S+](C)[O-])cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
PTGS2 P35354 1/20 0.32

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
SCHEMBL8985195 0.84 PTGS2 (0.47) PTGS2
SCHEMBL8985529 0.83
SCHEMBL8985332 0.83 PTGS1 (0.43) PTGS2
SCHEMBL8985322 0.82 PTGS2 (0.33) PGRNR3C1NR3C2ARPTGS2
SCHEMBL8985255 0.80 MAPK14 (0.45) PTGS2
SCHEMBL8985372 0.79 PTGS2 (0.34) PGRNR3C1NR3C2ARPTGS2
SCHEMBL8985497 0.78 APP (0.35) PGRNR3C1NR3C2ARPTGS2
SCHEMBL9207743 0.69 PTGS2 (0.46) NR3C2PTGS2
SCHEMBL8985262 0.68 PTGS2 (0.65) PTGS2
SCHEMBL8985472 0.64 AURKA (0.48) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed