SCHEMBL7362340

SCHEMBL7362340

N=C(N)c1ccc2nc(CC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.58
PRSS1 P07477 11/20 0.58
F2 P00734 10/20 0.58
F7 P08709 2/20 0.52
TPSAB1 Q15661 3/20 0.51
PLG P00747 2/20 0.51
PLAU P00749 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
TPSD1 Q9BZJ3 1/20 0.50
TPSG1 Q9NRR2 1/20 0.50
F9 P00740 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
PLAT P00750 1/20 0.48
HPN P05981 1/20 0.48

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
SCHEMBL7361157 0.88 F10 (0.64) F10PRSS1F2PRSS2PRSS3
SCHEMBL7365504 0.87 F10 (0.47) F10PRSS1F2F7TPSAB1
SCHEMBL7365671 0.85 TRPV1 (0.48) F10PRSS1F2TRPV1
SCHEMBL7361502 0.85 F10 (0.61) F10PRSS1F2F7TPSAB1
SCHEMBL8019753 0.81 F10 (0.66) F10PRSS1F2PRSS2PRSS3
SCHEMBL8031089 0.79 F10 (0.65) F10PRSS1F2F7TPSAB1
SCHEMBL7365672 0.79 RAB9A (0.43) F10PRSS1F2F9TRPV1
SCHEMBL7364435 0.79 F10 (0.50) F10PRSS1F2F7TPSAB1
SCHEMBL7366854 0.78 F10 (0.55) F10PRSS1F2F7TPSAB1
SCHEMBL7361483 0.78 F10 (0.57) F10PRSS1F2F7TPSAB1

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