SCHEMBL1718588

SCHEMBL1718588

O=C(Nc1ccc(OC(F)(F)F)cc1)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Cl

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.66
MAPT P10636 9/20 0.58
GAA P10253 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RXFP1 Q9HBX9 3/20 0.55
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.46
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
SCHEMBL1718865 0.93 PTGES (0.69) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1720203 0.91 MAPT (0.60) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1719692 0.90 PTGES (0.66) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1719548 0.88 PTGES (0.64) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1718414 0.87 PTGES (0.65) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1717929 0.86 PTGES (0.64) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1718060 0.84 PTGES (0.69) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1718761 0.84 MAPT (0.69) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1719241 0.84 PTGES (0.64) PTGESMAPTGAAL3MBTL1RXFP1
SCHEMBL1718417 0.84 RXFP1 (0.66) PTGESMAPTRXFP1ALDH1A1POLB

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