SCHEMBL7657595

SCHEMBL7657595

N=C(N)c1ccc(NC(=O)c2cc(C(=O)O)ccc2-c2ccccc2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.67
F10 P00742 14/20 0.67
F7 P08709 12/20 0.67
F3 P13726 12/20 0.67
PRSS1 P07477 1/20 0.67
PRSS2 P07478 1/20 0.67
PRSS3 P35030 1/20 0.67
PLAU P00749 3/20 0.61
PLAT P00750 3/20 0.61
PLG P00747 8/20 0.60
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX12 P18054 1/20 0.57
KLK1 P06870 1/20 0.55
KLK5 Q9Y337 1/20 0.55

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
SCHEMBL7657658 0.95 F2 (0.73) F2F10F7F3PRSS1
SCHEMBL7660727 0.94 F2 (0.64) F2F10F7F3PRSS1
SCHEMBL7661930 0.91 CYP3A4 (0.69) F2F10F7F3PRSS1
SCHEMBL7657966 0.91 F2 (0.68) F2F10F7F3PRSS1
SCHEMBL7661189 0.90 F2 (0.62) F2F10F7F3PRSS1
SCHEMBL7659543 0.90 F2 (0.61) F2F10F7F3PRSS1
SCHEMBL7660366 0.90 F2 (0.66) F2F10F7F3PRSS1
Hydrochloric Acid SCHEMBL7655131 0.90 CYP3A4 (0.68) F2F10F7F3PRSS1
SCHEMBL7660883 0.90 F2 (0.70) F2F10F7F3PRSS1
SCHEMBL7666155 0.89 F2 (0.60) F2F10F7F3PRSS1

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