SCHEMBL9115482

SCHEMBL9115482

CS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccccc2)CC3)nc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.53
PTGS1 P23219 6/20 0.53
RORC P51449 2/20 0.41
OPRL1 P41146 1/20 0.38
JAK2 O60674 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
SCHEMBL9118085 0.95 PTGS2 (0.48) PTGS2PTGS1RORCOPRL1JAK2
SCHEMBL9118010 0.95 PTGS2 (0.48) PTGS2PTGS1RORCOPRL1JAK2
SCHEMBL9117267 0.88 PTGS2 (0.56) PTGS2PTGS1RORC
SCHEMBL9117971 0.87 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL9117949 0.87 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL9117570 0.87 CA2 (0.41) PTGS2PTGS1
SCHEMBL9118379 0.85 PTGS2 (0.52) PTGS2PTGS1RORC
SCHEMBL9118625 0.85 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL9117672 0.84 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL9118495 0.84 PTGS2 (0.54) 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
WO-1995030652-A1 SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed