SCHEMBL7364435

SCHEMBL7364435

N=C(N)c1ccc2nc(CC(=O)c3ccc(-c4ccccc4-n4ncnn4)cc3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.50
F2 P00734 6/20 0.50
F7 P08709 3/20 0.50
PRSS1 P07477 5/20 0.47
PLAU P00749 4/20 0.47
TPSAB1 Q15661 3/20 0.47
PLG P00747 3/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLAT P00750 2/20 0.43
F9 P00740 1/20 0.43
HPN P05981 1/20 0.42

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
SCHEMBL8434169 0.86 F10 (0.48) F10F2F7PRSS1PLAU
SCHEMBL7361502 0.81 F10 (0.61) F10F2F7PRSS1PLAU
SCHEMBL7362340 0.79 F10 (0.58) F10F2F7PRSS1PLAU
SCHEMBL7361483 0.76 F10 (0.57) F10F2F7PRSS1PLAU
SCHEMBL7364424 0.76 F10 (0.68) F10F2PRSS1
SCHEMBL8031089 0.76 F10 (0.65) F10F2F7PRSS1PLAU
SCHEMBL7365504 0.75 F10 (0.47) F10F2F7PRSS1PLAU
SCHEMBL7366854 0.75 F10 (0.55) F10F2F7PRSS1PLAU
SCHEMBL8029320 0.73 RAB9A (0.53) F10F2F7PRSS1PLAU
SCHEMBL29354281 0.68 F10 (1.00) F10F2F7PRSS1PLAU

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
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
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