SCHEMBL7657679

SCHEMBL7657679

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 3/20 0.59
KLK5 Q9Y337 3/20 0.59
F2 P00734 9/20 0.56
F10 P00742 9/20 0.56
F7 P08709 5/20 0.56
F3 P13726 4/20 0.56
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
PLAU P00749 6/20 0.51
PLAT P00750 5/20 0.51
PLG P00747 5/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL7661840 0.96 KLK1 (0.55) KLK1KLK5F2F10F7
SCHEMBL7657644 0.96 KLK1 (0.59) KLK1KLK5F2F10F7
SCHEMBL7662482 0.96 KLK1 (0.59) KLK1KLK5F2F10F7
SCHEMBL7658667 0.93 KLK1 (0.55) KLK1KLK5F2F10F7
SCHEMBL7664312 0.93 KLK1 (0.55) KLK1KLK5F2F10F7
SCHEMBL7656697 0.93 KLK1 (0.59) KLK1KLK5F2F10F7
SCHEMBL7662162 0.90 F2 (0.54) KLK1KLK5F2F10F7
SCHEMBL7660401 0.89 F10 (0.53) KLK1KLK5F2F10F7
SCHEMBL7657229 0.89 KLK1 (0.55) KLK1KLK5F2F10F7
SCHEMBL7662355 0.89 KLK1 (0.55) 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