SCHEMBL7365504

SCHEMBL7365504

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Cc2nc3ccc(C(=N)N)cc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.47
F2 P00734 9/20 0.47
F7 P08709 2/20 0.47
PRSS1 P07477 7/20 0.46
TPSAB1 Q15661 3/20 0.46
PLG P00747 2/20 0.46
PLAU P00749 2/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
F9 P00740 1/20 0.43
PLAT P00750 1/20 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
SCHEMBL7362340 0.87 F10 (0.58) F10F2F7PRSS1TPSAB1
SCHEMBL7365121 0.83 RAB9A (0.45) NPC1RAB9A
SCHEMBL7365117 0.81 RAB9A (0.45) NPC1RAB9A
SCHEMBL7361502 0.80 F10 (0.61) F10F2F7PRSS1TPSAB1
SCHEMBL7361157 0.78 F10 (0.64) F10F2PRSS1PRSS2PRSS3
SCHEMBL8032811 0.76 F10 (0.77) F10F2PRSS1
SCHEMBL8031089 0.75 F10 (0.65) F10F2F7PRSS1TPSAB1
SCHEMBL7364435 0.75 F10 (0.50) F10F2F7PRSS1TPSAB1
SCHEMBL7361732 0.74 F10 (0.46) F10F2PRSS1NPC1RAB9A
SCHEMBL7366854 0.74 F10 (0.55) F10F2F7PRSS1TPSAB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO disclosed