SCHEMBL14176253

COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c(C(=O)N[C@@H](CO)C(=O)NCc2ccc(Cl)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	F10	P00742	16/20	0.64

▸	F2	P00734	7/20	0.64

▸	CARM1	Q86X55	3/20	0.58

▸	PRSS1	P07477	4/20	0.54

▸	PRSS2	P07478	4/20	0.54

▸	PRSS3	P35030	4/20	0.54

▸	F9	P00740	2/20	0.53

▸	PROC	P04070	2/20	0.53

▸	KLK1	P06870	1/20	0.53

▸	KLKB1	P03952	1/20	0.53

▸	CFH	P08603	1/20	0.53

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
SCHEMBL14176258	0.94	F10 (0.62)	F10F2CARM1PRSS1PRSS2
SCHEMBL14176250	0.94	F10 (0.62)	F10F2CARM1PRSS1PRSS2
SCHEMBL14176252	0.93	F10 (0.64)	F10F2CARM1PRSS1PRSS2
SCHEMBL14176220	0.93	F10 (0.65)	F10F2CARM1PRSS1PRSS2
SCHEMBL14176246	0.91	F10 (0.66)	F10F2CARM1PRSS1PRSS2
SCHEMBL14176229	0.90	F10 (0.61)	F10F2CARM1PRSS1PRSS2
SCHEMBL14176281	0.90	F10 (0.67)	F10F2CARM1PRSS1PRSS2
SCHEMBL14176268	0.90	F10 (0.65)	F10F2CARM1PRSS1PRSS2
SCHEMBL14176248	0.89	F10 (0.67)	F10F2CARM1PRSS1PRSS2
SCHEMBL14176245	0.89	F10 (0.67)	F10F2CARM1PRSS1PRSS2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7381732-B2	Pyrazolobenzamides and derivatives as factor Xa inhibitors	BRISTOL-MYERS SQUIBB COMPANY (US)	2008-06-03	—	—	US	disclosed
US-7381732-B2	Pyrazolobenzamides and derivatives as factor Xa inhibitors	BRISTOL-MYERS SQUIBB COMPANY (US)	2008-06-03	—	—	US	disclosed