SCHEMBL5698181

SCHEMBL5698181

CCc1nn(-c2ccc(NC(=O)Oc3nc(C)sc3-c3cccc(C(N)=O)c3)cc2)c(=N)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.34
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
CSF1R P07333 1/20 0.34
FLT1 P17948 1/20 0.34
FLT3 P36888 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.33
DYRK1A Q13627 1/20 0.33
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6394613 0.86 F10 (0.39) F10F2PRSS1PRSS2PRSS3
SCHEMBL5698252 0.81 F10 (0.44) F10F2PRSS1PRSS2PRSS3
SCHEMBL5698167 0.77 F10 (0.44) F10F2PRSS1PRSS2PRSS3
SCHEMBL6396479 0.74 F10 (0.58) F10F2PRSS1PRSS2PRSS3
SCHEMBL5698153 0.71 DYRK1A (0.45) CSF1RFLT1FLT3KMT2ADYRK1A
SCHEMBL6390351 0.70 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL5698171 0.69 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL5698139 0.67 F10 (0.42) F10F2PRSS1PRSS2PRSS3
SCHEMBL5698190 0.65 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL6390603 0.62 F10 (0.60) F10F2PRSS1PRSS2PRSS3

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
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