SCHEMBL7367326

SCHEMBL7367326

N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
PRSS1 P07477 19/20 1.00
F2 P00734 15/20 1.00
F9 P00740 2/20 1.00
PRSS2 P07478 2/20 0.65
PRSS3 P35030 2/20 0.65

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
SCHEMBL1982997 0.88 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL7449310 0.88 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL6616732 0.87 F10 (0.78) F10PRSS1F2F9PRSS2
SCHEMBL7366733 0.86 F10 (0.75) F10PRSS1F2F9PRSS2
SCHEMBL7365282 0.85 F10 (0.81) F10PRSS1F2F9PRSS2
SCHEMBL7438126 0.82 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL8019753 0.80 F10 (0.66) F10PRSS1F2F9PRSS2
SCHEMBL7361157 0.78 F10 (0.64) F10PRSS1F2F9PRSS2
SCHEMBL7453073 0.77 F10 (0.70) F10PRSS1F2F9PRSS2
SCHEMBL7438119 0.76 F10 (0.66) F10PRSS1F2F9PRSS2

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