SCHEMBL7656677

SCHEMBL7656677

COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 4/20 0.59
KLK5 Q9Y337 4/20 0.59
F2 P00734 7/20 0.56
F10 P00742 7/20 0.56
F7 P08709 3/20 0.56
F3 P13726 3/20 0.56
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
PLAU P00749 5/20 0.54
PLAT P00750 5/20 0.54
PLG P00747 3/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL7663608 0.96 KLK1 (0.55) KLK1KLK5F2F10F7
SCHEMBL7656788 0.89 KLK1 (0.68) KLK1KLK5F2F10F7
SCHEMBL7651966 0.88 KLK1 (0.53) KLK1KLK5F2F10F7
SCHEMBL7663619 0.87 KLK1 (0.53) KLK1KLK5F2F10F7
SCHEMBL7659237 0.85 KLK1 (0.63) KLK1KLK5F2F10F7
SCHEMBL7656195 0.83 KLK1 (0.65) KLK1KLK5F2F10F7
SCHEMBL7660234 0.82 PLAU (0.66) KLK1KLK5F2F10F7
SCHEMBL7658651 0.82 KLK1 (0.67) KLK1KLK5F2F10F7
SCHEMBL7661337 0.82 F2 (0.69) KLK1KLK5F2F10F7
SCHEMBL7661930 0.81 CYP3A4 (0.69) KLK1KLK5F2F10F7

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 claimed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP claimed