SCHEMBL1719196

SCHEMBL1719196

O=C(Nc1ccc(Cl)cc1)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.80
THRB P10828 4/20 0.79
RXFP1 Q9HBX9 1/20 0.71
POLB P06746 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ALDH1A1 P00352 4/20 0.65
HSD17B10 Q99714 3/20 0.65
HPGD P15428 3/20 0.65
LMNA P02545 2/20 0.65
CASP1 P29466 2/20 0.65
CASP7 P55210 1/20 0.65
BAP1 Q92560 1/20 0.65
RAB9A P51151 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 3/20 0.64
GAA P10253 1/20 0.64
TP53 P04637 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL1718868 0.91 MAPT (0.77) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1719450 0.91 MAPT (0.77) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1719059 0.90 MAPT (0.80) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1719480 0.88 MAPT (0.75) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1718398 0.88 MAPT (0.75) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1719394 0.86 MAPT (0.78) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1719283 0.85 THRB (0.73) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1718360 0.85 MAPT (0.73) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1718976 0.84 THRB (0.77) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1719908 0.84 MAPT (0.68) MAPTTHRBALDH1A1HSD17B10HPGD

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