SCHEMBL7683455

SCHEMBL7683455

N#Cc1ccc(-c2ccccc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F7 P08709 12/20 0.57
F3 P13726 12/20 0.57
F2 P00734 11/20 0.57
F10 P00742 11/20 0.57
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
PLG P00747 6/20 0.55
PLAU P00749 3/20 0.55
PLAT P00750 3/20 0.55
HTT P42858 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
KLK1 P06870 1/20 0.49
KLK5 Q9Y337 1/20 0.49

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
SCHEMBL7656925 0.95 F7 (0.55) F7F3F2F10PRSS1
SCHEMBL7657595 0.86 F2 (0.67) F7F3F2F10PRSS1
SCHEMBL7661930 0.85 CYP3A4 (0.69) F7F3F2F10PRSS1
SCHEMBL7656933 0.84 F10 (0.47) F7F3F2F10PRSS1
SCHEMBL7660366 0.84 F2 (0.66) F7F3F2F10PRSS1
SCHEMBL7661189 0.84 F2 (0.62) F7F3F2F10PRSS1
SCHEMBL7659543 0.84 F2 (0.61) F7F3F2F10PRSS1
Hydrochloric Acid SCHEMBL7655131 0.84 CYP3A4 (0.68) F7F3F2F10PRSS1
SCHEMBL7659668 0.83 F2 (0.48) F7F3F2F10PRSS1
SCHEMBL7662311 0.83 F2 (0.65) F7F3F2F10PRSS1

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