SCHEMBL7651966

SCHEMBL7651966

COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)OCc2ccccc2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 3/20 0.53
KLK5 Q9Y337 3/20 0.53
F2 P00734 8/20 0.49
F10 P00742 8/20 0.49
F7 P08709 6/20 0.49
PRSS1 P07477 4/20 0.49
F3 P13726 4/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
PLAU P00749 3/20 0.48
PLAT P00750 3/20 0.48
PLG P00747 4/20 0.44
MRGPRX1 Q96LB2 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL7663218 0.90 KLK1 (0.61) KLK1KLK5F2F10F7
SCHEMBL7656677 0.88 KLK1 (0.59) KLK1KLK5F2F10F7
SCHEMBL7658212 0.85 PLAU (0.60) KLK1KLK5F2F10F7
SCHEMBL7674717 0.84 F2 (0.59) KLK1KLK5F2F10F7
SCHEMBL7663608 0.84 KLK1 (0.55) KLK1KLK5F2F10F7
SCHEMBL7656816 0.84 F2 (0.58) KLK1KLK5F2F10F7
SCHEMBL7663552 0.84 KLK1 (0.60) KLK1KLK5F2F10F7
SCHEMBL7663619 0.84 KLK1 (0.53) KLK1KLK5F2F10F7
SCHEMBL7656046 0.83 PLAU (0.52) KLK1KLK5F2F10F7
SCHEMBL7662830 0.83 PLAU (0.54) 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 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