SCHEMBL7366850

SCHEMBL7366850

N=C(N)c1ccc2ncn(CC(=O)c3ccc(-c4cccc(N)c4)cc3)c2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.82
F2 P00734 7/20 0.82
PRSS1 P07477 6/20 0.82
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
CA13 Q8N1Q1 4/20 0.45
ALPL P05186 2/20 0.44
ALPG P10696 2/20 0.44
ALPI P09923 1/20 0.44
PLAA Q9Y263 1/20 0.44
GRIN2B Q13224 1/20 0.42
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL8029526 0.92 F10 (0.82) F10F2PRSS1CA12CA1
SCHEMBL7361499 0.90 F10 (1.00) F10F2PRSS1CA12CA1
SCHEMBL8031084 0.85 F10 (0.81) F10F2PRSS1CA12CA1
SCHEMBL7361478 0.84 F10 (0.80) F10F2PRSS1CA12CA1
SCHEMBL8029316 0.81 F10 (1.00) F10F2PRSS1CA12CA1
SCHEMBL8029289 0.78 F10 (1.00) F10F2PRSS1CA12CA1
SCHEMBL7398841 0.78 F10 (0.50) F10F2PRSS1
SCHEMBL7364424 0.75 F10 (0.68) F10F2PRSS1CA12CA1
SCHEMBL8032811 0.74 F10 (0.77) F10F2PRSS1CA12CA1
SCHEMBL20672328 0.72 F10 (0.68) F10F2PRSS1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed