SCHEMBL7660909

SCHEMBL7660909

N=C(N)c1ccc(NCc2ccccc2-c2ccccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.51
PLAU P00749 2/20 0.50
PLAT P00750 2/20 0.50
PRSS1 P07477 7/20 0.48
F2 P00734 4/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48
F10 P00742 2/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
MRGPRX1 Q96LB2 1/20 0.45
PLG P00747 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
KLK1 P06870 2/20 0.44
KLK5 Q9Y337 2/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
TMPRSS6 Q8IU80 2/20 0.42

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
SCHEMBL7651335 0.94 PRSS1 (0.47) HIF1APLAUPLATPRSS1F2
SCHEMBL7665961 0.87 F2 (0.47) HIF1APLAUPLATPRSS1F2
SCHEMBL7659263 0.85 CA1 (0.54) HIF1APLAUPLATPRSS1F2
SCHEMBL7651303 0.82 F2 (0.46) HIF1APLAUPLATPRSS1F2
SCHEMBL7651340 0.82 F2 (0.44) HIF1APLAUPLATPRSS1F2
SCHEMBL7658757 0.81 F7 (0.59) PLAUPRSS1F2PRSS2PRSS3
SCHEMBL7651493 0.81 F7 (0.75) PRSS1F2PRSS2PRSS3F10
SCHEMBL7657660 0.81 CA1 (0.50) HIF1APLAUPLATPRSS1F2
SCHEMBL7664428 0.79 F2 (0.47) PLAUPLATPRSS1F2PRSS2
SCHEMBL7661930 0.79 CYP3A4 (0.69) PLAUPLATPRSS1F2PRSS2

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