SCHEMBL1718013

SCHEMBL1718013

O=C(Nc1cccc(Cl)c1Cl)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.60
MAPT P10636 6/20 0.58
GAA P10253 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RXFP1 Q9HBX9 4/20 0.55
THRB P10828 2/20 0.55
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL1719075 0.94 RXFP1 (0.59) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1718828 0.92 PTGES (0.60) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1718122 0.92 MAPT (0.61) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1719847 0.92 MAPT (0.66) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1719275 0.89 PTGES (0.58) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1717737 0.89 MAPT (0.60) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1718043 0.88 ALDH1A1 (0.65) PTGESMAPTGAARXFP1THRB
SCHEMBL1717910 0.88 PTGES (0.61) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1719971 0.88 PTGES (0.59) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1718865 0.88 PTGES (0.69) PTGESMAPTGAAL3MBTL1RXFP1

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 2 patents. 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 claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed