SCHEMBL1719141

SCHEMBL1719141

O=C(NCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Cl

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPK1 P28482 1/20 0.59
RXFP1 Q9HBX9 2/20 0.57
PTGES O14684 1/20 0.55
USP2 O75604 1/20 0.54
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP1 P29466 1/20 0.46
CASP7 P55210 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
SCHEMBL1718638 0.93 MAPK1 (0.66) MAPTGAAL3MBTL1ALDH1A1CYP1A2
SCHEMBL1718678 0.93 MAPT (0.64) MAPTGAAL3MBTL1ALDH1A1CYP1A2
SCHEMBL1718667 0.91 MAPT (0.67) MAPTGAAL3MBTL1ALDH1A1CYP1A2
SCHEMBL1718197 0.91 RXFP1 (0.69) MAPTGAAL3MBTL1ALDH1A1CYP1A2
SCHEMBL1718005 0.89 MAPK1 (0.63) MAPTGAAL3MBTL1ALDH1A1CYP1A2
SCHEMBL1718595 0.89 ALDH1A1 (0.72) MAPTGAAL3MBTL1ALDH1A1CYP1A2
SCHEMBL1717999 0.89 ALDH1A1 (0.77) MAPTGAAL3MBTL1ALDH1A1CYP1A2
SCHEMBL1718636 0.88 MAPK1 (0.62) MAPTGAAL3MBTL1ALDH1A1CYP1A2
SCHEMBL1719350 0.88 ALDH1A1 (0.62) MAPTGAAL3MBTL1ALDH1A1CYP1A2
SCHEMBL1718015 0.86 MAPT (0.60) MAPTGAAL3MBTL1ALDH1A1CYP1A2

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