SCHEMBL5698252

SCHEMBL5698252

CCc1nn(-c2ccc(NC(=O)Oc3cc(C)nn3-c3cccc(C(N)=O)c3)cc2)c(=N)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.44
F2 P00734 6/20 0.44
PRSS1 P07477 6/20 0.44
PRSS2 P07478 6/20 0.44
PRSS3 P35030 6/20 0.44
F9 P00740 2/20 0.42
KMT2A Q03164 3/20 0.38
P2RY1 P47900 1/20 0.37
KHK P50053 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5698167 0.90 F10 (0.44) F10F2PRSS1PRSS2PRSS3
SCHEMBL6396479 0.86 F10 (0.58) F10F2PRSS1PRSS2PRSS3
SCHEMBL5698181 0.81 F10 (0.34) F10F2PRSS1PRSS2PRSS3
SCHEMBL5698171 0.80 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL5698139 0.79 F10 (0.42) F10F2PRSS1PRSS2PRSS3
SCHEMBL5698190 0.77 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL6390351 0.77 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6394613 0.75 F10 (0.39) F10F2PRSS1PRSS2PRSS3
SCHEMBL28555174 0.72 TSHR (0.61) KMT2AP2RY1ALDH1A1MAPTHPGD
SCHEMBL5698207 0.71 ALDH1A1 (0.49) 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 claimed
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