SCHEMBL1719409

SCHEMBL1719409

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

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
USP2 O75604 1/20 0.58
PTGES O14684 1/20 0.57
ALDH1A1 P00352 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
RXFP1 Q9HBX9 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
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
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL1718582 0.90 MAPT (0.59) MAPTGAAL3MBTL1USP2PTGES
SCHEMBL3278674 0.90 USP2 (0.70) MAPTGAAUSP2ALDH1A1CASP1
SCHEMBL5658010 0.88 RXFP1 (0.59) MAPTGAAL3MBTL1ALDH1A1RXFP1
SCHEMBL1718865 0.86 PTGES (0.69) MAPTGAAL3MBTL1USP2PTGES
SCHEMBL1719266 0.86 MAPT (0.78) MAPTGAAUSP2PTGESALDH1A1
SCHEMBL4200866 0.85 USP2 (0.68) MAPTGAAL3MBTL1USP2PTGES
SCHEMBL4213964 0.84 USP2 (0.67) MAPTGAAL3MBTL1USP2PTGES
SCHEMBL4203832 0.84 USP2 (0.67) MAPTGAAL3MBTL1USP2PTGES
SCHEMBL1719692 0.84 PTGES (0.66) MAPTGAAL3MBTL1USP2PTGES
SCHEMBL1719548 0.84 PTGES (0.64) MAPTGAAL3MBTL1USP2PTGES

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 claimed