SCHEMBL7654139

SCHEMBL7654139

CCC(C)(C)NC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)OS(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.53
F2 P00734 12/20 0.53
F7 P08709 9/20 0.53
F3 P13726 8/20 0.53
PRSS1 P07477 4/20 0.53
PRSS2 P07478 4/20 0.53
PRSS3 P35030 4/20 0.53
PLAU P00749 5/20 0.46
PLAT P00750 4/20 0.46
PLG P00747 5/20 0.43
KLK1 P06870 3/20 0.43
KLK5 Q9Y337 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F9 P00740 1/20 0.42
F11 P03951 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL7654132 0.89 F7 (0.64) F10F2F7F3PRSS1
SCHEMBL7656404 0.89 F10 (0.54) F10F2F7F3PRSS1
SCHEMBL7662813 0.87 F2 (0.61) F10F2F7F3PRSS1
SCHEMBL7655538 0.87 F7 (0.68) F10F2F7F3PRSS1
SCHEMBL7658408 0.87 F10 (0.58) F10F2F7F3PRSS1
SCHEMBL7663346 0.86 F10 (0.56) F10F2F7F3PRSS1
SCHEMBL7656734 0.86 F10 (0.57) F10F2F7F3PRSS1
SCHEMBL7656650 0.86 F2 (0.59) F10F2F7F3PRSS1
SCHEMBL7659983 0.85 F2 (0.54) F10F2F7F3PRSS1
SCHEMBL7664202 0.85 F10 (0.56) F10F2F7F3PRSS1

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