SCHEMBL5698239

SCHEMBL5698239

Nc1noc2ccc(-n3nc(C(F)(F)F)cc3OC(=O)Nc3ccc(N4CCCC4=S)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.52
F2 P00734 9/20 0.50
F5 P12259 1/20 0.44
CTRB1 P17538 1/20 0.44

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
SCHEMBL5698220 0.92 F10 (0.52) F10F2F5CTRB1
SCHEMBL6389881 0.86 F10 (0.66) F10F2F5CTRB1
SCHEMBL5698150 0.85 F10 (0.38) F10F2
SCHEMBL5698230 0.83 F10 (0.45) F10F2
SCHEMBL5698233 0.80 F10 (0.52) F10F2CTRB1
SCHEMBL5698152 0.79 F10 (0.52) F10F2CTRB1
SCHEMBL6393347 0.78 F10 (0.65) F10F2F5CTRB1
SCHEMBL5698136 0.75 F10 (0.46) F10F2
SCHEMBL5698180 0.75 F10 (0.47) F10F2CTRB1
SCHEMBL5698169 0.74 F10 (0.36) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517685-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(THIOXO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND CORRESPONDING IMINO-HETEROCYCLYL DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GmbH (DE) 2005-03-30 EP claimed
WO-2004002477-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(THIOXO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND CORRESPONDING IMINO-HETEROCYCLYL DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GMBH (DE) 2004-01-08 WO claimed
EP-1679073-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(IMINO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GmbH (DE) 2006-07-12 EP disclosed
EP-1517685-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(THIOXO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND CORRESPONDING IMINO-HETEROCYCLYL DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GmbH (DE) 2005-03-30 EP disclosed
WO-2004002477-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(THIOXO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND CORRESPONDING IMINO-HETEROCYCLYL DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GMBH (DE) 2004-01-08 WO disclosed