SCHEMBL19188

SCHEMBL19188

CCCc1[nH]nc(C(F)F)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.45
HCAR3 P49019 3/20 0.33
PTPN1 P18031 1/20 0.32
PTPN11 Q06124 1/20 0.32
MAPK1 P28482 1/20 0.31
PDE5A O76074 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL17164552 0.76 HCAR2 (0.32) HCAR2
SCHEMBL21152 0.74 HCAR2 (0.44) HCAR2HCAR3
SCHEMBL20911 0.72 HCAR2 (0.43) HCAR2HCAR3PTPN1PTPN11
SCHEMBL29217463 0.72 HCAR2 (0.33) HCAR2
SCHEMBL17709538 0.72
SCHEMBL19329 0.71 HCAR2 (0.39) HCAR2HCAR3PTPN1PTPN11MAPK1
SCHEMBL29129805 0.70 GLRA3 (0.31) HCAR2
SCHEMBL15166428 0.68 L3MBTL1 (0.30)
SCHEMBL17224984 0.68 HCAR2 (0.81) HCAR2HCAR3
SCHEMBL11223769 0.67 HCAR2 (0.51) HCAR2HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174857-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE-4-CARBOXAMIDES Solvay SA (BE) 2017-06-07 EP disclosed
WO-2016016298-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE-4-CARBOXAMIDES SOLVAY SA (BE) 2016-02-04 WO disclosed
EP-2632901-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE-4-CARBOXAMIDES SOLVAY SA (BE) 2013-09-04 EP disclosed
EP-2595962-A1 PROCESS FOR THE PREPARATION OF ESTERS OF 1-SUBSTITUTED-3-FLUOROALKYL-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2013-05-29 EP disclosed
WO-2012055864-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE-4-CARBOXAMIDES SOLVAY SA (BE) 2012-05-03 WO disclosed
WO-2012025469-A1 IMPROVED PROCESS FOR THE PREPARATION OF ESTERS OF 1-H-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2012-03-01 WO disclosed
WO-2012010692-A1 PROCESS FOR THE PREPARATION OF ESTERS OF 1-SUBSTITUTED-3-FLUOROALKYL-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2012-01-26 WO disclosed