SCHEMBL8933922

CN(C)C=NS(=O)(=O)c1ccc(-n2nc(C#N)c3c2-c2ccc(F)cc2CS3)cc1.N#Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1SCc1cc(F)ccc1-2

nearest known ligand 0.78

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	PTGS2	P35354	19/20	0.78

▸	PTGS1	P23219	11/20	0.78

▸	CA12	O43570	1/20	0.37

▸	CA1	P00915	1/20	0.37

▸	CA2	P00918	1/20	0.37

▸	CA3	P07451	1/20	0.37

▸	CA4	P22748	1/20	0.37

▸	CA6	P23280	1/20	0.37

▸	CA5A	P35218	1/20	0.37

▸	CA7	P43166	1/20	0.37

▸	CA9	Q16790	1/20	0.37

▸	CA13	Q8N1Q1	1/20	0.37

▸	CA14	Q9ULX7	1/20	0.37

▸	CA5B	Q9Y2D0	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.

Compound	similarity	top predicted	shared targets
SCHEMBL8933918	1.00	PTGS2 (0.78)	PTGS2PTGS1CA12CA1CA2
SCHEMBL8934173	0.96	PTGS2 (0.70)	PTGS2PTGS1
SCHEMBL8475783	0.96	PTGS2 (0.70)	PTGS2PTGS1
SCHEMBL8933829	0.88	PTGS2 (1.00)	PTGS2PTGS1CA12CA1CA2
SCHEMBL8933852	0.76	PTGS2 (0.72)	PTGS2PTGS1CA12CA1CA2
SCHEMBL8933877	0.74	PTGS2 (1.00)	PTGS2PTGS1CA12CA1CA2
SCHEMBL8933896	0.74	PTGS2 (0.72)	PTGS2PTGS1CA12CA1CA2
SCHEMBL8933887	0.73	PTGS2 (0.71)	PTGS2PTGS1CA12CA1CA2
SCHEMBL8933959	0.73	PTGS2 (0.71)	PTGS2PTGS1CA12CA1CA2
SCHEMBL8474734	0.73	PTGS2 (0.71)	PTGS2PTGS1CA12CA1CA2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1996009304-A1	BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION	G.D. SEARLE & CO. (US)	1996-03-28	—	—	WO	disclosed