SCHEMBL7712499

SCHEMBL7712499

NC(=S)c1ccc(Cn2c(C(=O)NCc3ccncc3)cc3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.62
F2 P00734 4/20 0.50
BRD4 O60885 1/20 0.50
CCR2 P41597 2/20 0.47
NTRK1 P04629 1/20 0.46

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
SCHEMBL6436996 0.90 F10 (0.71) F10F2
SCHEMBL7712483 0.83 F10 (0.53) F10BRD4CCR2NTRK1
SCHEMBL6434131 0.81 F10 (0.59) F10F2
Hydrochloric Acid SCHEMBL6434172 0.81 F10 (0.85) F10F2
SCHEMBL6437209 0.79 F10 (0.59) F10F2
SCHEMBL27513366 0.79 CCR2 (0.72) F10CCR2
SCHEMBL6433197 0.78 F10 (0.68) F10F2
SCHEMBL12585719 0.78 F10 (0.70) F10CCR2
SCHEMBL6432441 0.77 F10 (0.58) F10F2BRD4CCR2
SCHEMBL7426326 0.77 NTRK1 (0.50) F10BRD4NTRK1

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
CN-1220681-C Indole derivatives as XA factor inhibitors AVENTIS MEDICINES DEUTSCHLAND (DE) 2005-09-28 CN disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
CN-1283186-A Indole derivatives as XA factor inhibitors AWENTIS MEDICINES DEUTSCHLAND (DE) 2001-02-07 CN disclosed