SCHEMBL7657667

SCHEMBL7657667

COc1ccc(-c2ccccc2C(=O)OS(C)(=O)=O)c(CNc2ccc(C(=N)N)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
F2 P00734 6/20 0.45
F10 P00742 5/20 0.45
F7 P08709 4/20 0.45
PRSS1 P07477 3/20 0.45
KLK1 P06870 2/20 0.43
KLK5 Q9Y337 2/20 0.43
PLAU P00749 3/20 0.42
PLAT P00750 2/20 0.42
HIF1A Q16665 2/20 0.42
F3 P13726 2/20 0.42
PLG P00747 1/20 0.42
MRGPRX1 Q96LB2 2/20 0.39
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ALOX5 P09917 1/20 0.37
ALOX12 P18054 1/20 0.36
GCGR P47871 1/20 0.36

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
SCHEMBL7657660 0.89 CA1 (0.50) CA1CA2F2F10F7
SCHEMBL7651340 0.89 F2 (0.44) CA1CA2F2F10F7
SCHEMBL7651310 0.88 F2 (0.43) F2F10F7PRSS1KLK1
SCHEMBL7659263 0.87 CA1 (0.54) CA1CA2F2F10F7
SCHEMBL7656855 0.86 F7 (0.61) F2F10F7PRSS1F3
SCHEMBL7652093 0.84 F10 (0.60) F2F10F7PRSS1KLK1
SCHEMBL7665826 0.83 F10 (0.61) F2F10F7PRSS1KLK1
SCHEMBL7664218 0.81 F10 (0.56) F2F10F7PRSS1KLK1
SCHEMBL7654558 0.81 F10 (0.56) F2F10F7PRSS1KLK1
SCHEMBL7653335 0.79 F7 (0.58) F2F10F7PRSS1F3

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-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed