SCHEMBL8031089

SCHEMBL8031089

N=C(N)c1ccc2nc(CC(=O)c3ccc(-c4ccc(F)cc4)cc3)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.65
TPSAB1 Q15661 3/20 0.60
PRSS1 P07477 2/20 0.60
F2 P00734 2/20 0.60
PLG P00747 1/20 0.60
PLAU P00749 1/20 0.60
PRSS2 P07478 1/20 0.60
PRSS3 P35030 1/20 0.60
TPSD1 Q9BZJ3 1/20 0.58
TPSG1 Q9NRR2 1/20 0.58
CHEK2 O96017 1/20 0.56
F7 P08709 1/20 0.54

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
SCHEMBL7361502 0.90 F10 (0.61) F10TPSAB1PRSS1F2PLG
SCHEMBL7361483 0.87 F10 (0.57) F10TPSAB1PRSS1F2PLG
SCHEMBL7366854 0.85 F10 (0.55) F10TPSAB1PRSS1F2PLG
SCHEMBL8029320 0.81 RAB9A (0.53) F10TPSAB1PRSS1F2PLG
SCHEMBL7362340 0.79 F10 (0.58) F10TPSAB1PRSS1F2PLG
SCHEMBL7367804 0.76 F7 (0.46) F10TPSAB1PRSS1F2PLG
SCHEMBL7441084 0.76 F10 (0.55) F10TPSAB1PRSS1F2PLG
SCHEMBL7364435 0.76 F10 (0.50) F10TPSAB1PRSS1F2PLG
SCHEMBL29361696 0.76 F10 (1.00) F10TPSAB1PRSS1F2PLG
SCHEMBL871141 0.76 F10 (1.00) F10TPSAB1PRSS1F2PLG

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 2 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
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed