SCHEMBL20418

SCHEMBL20418

CCOC(=O)c1c(C(F)(F)Cl)n[nH]c1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.70
MAPT P10636 3/20 0.70
POLB P06746 2/20 0.70
KMT2A Q03164 2/20 0.70
PDE4D Q08499 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
MAPK1 P28482 1/20 0.39
MAPK10 P53779 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AURKA O14965 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL20471481 0.88 KDM4E (0.74) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL13374021 0.83 MAPT (0.67) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL433234 0.79 KMT2A (0.43) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL353564 0.77 PDE4D (1.00) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL20343 0.76 PDE4D (0.61) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL23001765 0.76 PDE4D (0.71) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL7513038 0.74 PDE4D (0.73) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL31367819 0.74 PDE4D (0.73) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL4650523 0.73 KDM4E (0.55) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL17777909 0.73 KDM4E (0.55) KDM4EMAPTPOLBKMT2APDE4D

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-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-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