SCHEMBL7366854

SCHEMBL7366854

N=C(N)c1ccc2nc(CC(=O)c3ccc(-c4cccc(N)c4)cc3)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.55
PRSS1 P07477 4/20 0.55
F2 P00734 4/20 0.55
TPSAB1 Q15661 3/20 0.55
PLAU P00749 3/20 0.55
PLG P00747 2/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
TPSD1 Q9BZJ3 1/20 0.54
TPSG1 Q9NRR2 1/20 0.54
F7 P08709 4/20 0.53
F3 P13726 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL7367804 0.92 F7 (0.46) F10PRSS1F2TPSAB1PLAU
SCHEMBL7361502 0.90 F10 (0.61) F10PRSS1F2TPSAB1PLAU
SCHEMBL7398843 0.90 F10 (0.53) F10PRSS1F2TPSAB1PLAU
SCHEMBL8031089 0.85 F10 (0.65) F10PRSS1F2TPSAB1PLAU
SCHEMBL7361483 0.83 F10 (0.57) F10PRSS1F2TPSAB1PLAU
SCHEMBL8029320 0.81 RAB9A (0.53) F10PRSS1F2TPSAB1PLAU
SCHEMBL7362340 0.78 F10 (0.58) F10PRSS1F2TPSAB1PLAU
SCHEMBL7364435 0.75 F10 (0.50) F10PRSS1F2TPSAB1PLAU
SCHEMBL7365504 0.74 F10 (0.47) F10PRSS1F2TPSAB1PLAU
SCHEMBL7441084 0.73 F10 (0.55) F10PRSS1F2TPSAB1PLAU

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
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
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed