SCHEMBL1718229

SCHEMBL1718229

O=C(Nc1ccc(Cl)cc1Cl)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
THRB P10828 2/20 0.58
USP2 O75604 1/20 0.58
MAPK1 P28482 1/20 0.56
RXFP1 Q9HBX9 2/20 0.50
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 2/20 0.49
PTGES O14684 1/20 0.49
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL1719212 0.91 RXFP1 (0.62) MAPTTHRBUSP2MAPK1RXFP1
SCHEMBL1719971 0.91 PTGES (0.59) MAPTTHRBUSP2MAPK1RXFP1
SCHEMBL1718772 0.90 MAPT (0.61) MAPTTHRBUSP2MAPK1RXFP1
SCHEMBL1719847 0.89 MAPT (0.66) MAPTTHRBUSP2MAPK1RXFP1
SCHEMBL1718513 0.87 MAPT (0.64) MAPTTHRBUSP2MAPK1RXFP1
SCHEMBL1718612 0.87 MAPT (0.64) MAPTTHRBUSP2MAPK1RXFP1
SCHEMBL1719273 0.87 MAPT (0.62) MAPTTHRBUSP2MAPK1RXFP1
SCHEMBL1719133 0.87 MAPT (0.63) MAPTTHRBUSP2MAPK1RXFP1
SCHEMBL1718851 0.86 MAPT (0.68) MAPTTHRBUSP2MAPK1RXFP1
SCHEMBL1718483 0.86 MAPT (0.62) MAPTTHRBUSP2MAPK1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed