SCHEMBL7658676

SCHEMBL7658676

COc1cccc2cc(C(=O)Nc3ccc(C(=N)N)cc3)c(-c3ccccc3C(=O)OS(C)(=O)=O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 4/20 0.53
KLK5 Q9Y337 4/20 0.53
F10 P00742 7/20 0.45
PLAU P00749 5/20 0.45
PLAT P00750 5/20 0.45
F2 P00734 5/20 0.45
PLG P00747 3/20 0.45
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
NQO2 P16083 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL7661845 0.97 KLK1 (0.54) KLK1KLK5F10PLAUPLAT
SCHEMBL7657234 0.97 KLK1 (0.53) KLK1KLK5F10PLAUPLAT
SCHEMBL7664317 0.94 KLK1 (0.54) KLK1KLK5F10PLAUPLAT
SCHEMBL7658159 0.90 F10 (0.51) KLK1KLK5F10PLAUPLAT
SCHEMBL7658667 0.90 KLK1 (0.55) KLK1KLK5F10PLAUPLAT
SCHEMBL7663707 0.88 F10 (0.54) KLK1KLK5F10PLAUPLAT
SCHEMBL7661840 0.88 KLK1 (0.55) KLK1KLK5F10PLAUPLAT
SCHEMBL7654776 0.88 KLK1 (0.47) KLK1KLK5F10PLAUPLAT
SCHEMBL7662482 0.88 KLK1 (0.59) KLK1KLK5F10PLAUPLAT
SCHEMBL7662417 0.88 KLK1 (0.58) KLK1KLK5F10PLAUPLAT

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