SCHEMBL1718976

SCHEMBL1718976

O=C(Nc1ccccc1C(F)(F)F)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.77
RXFP1 Q9HBX9 2/20 0.77
MAPT P10636 7/20 0.73
HPGD P15428 3/20 0.68
ALDH1A1 P00352 2/20 0.68
POLB P06746 2/20 0.68
LMNA P02545 2/20 0.68
CASP1 P29466 1/20 0.68
CASP7 P55210 1/20 0.68
BAP1 Q92560 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TP53 P04637 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL1719159 0.87 THRB (0.76) THRBRXFP1MAPTHPGDALDH1A1
SCHEMBL1718614 0.86 HPGD (0.74) THRBRXFP1MAPTHPGDALDH1A1
SCHEMBL1719283 0.85 THRB (0.73) THRBRXFP1MAPTHPGDALDH1A1
SCHEMBL1718401 0.85 TP53 (0.72) THRBRXFP1MAPTHPGDALDH1A1
SCHEMBL1717969 0.85 TP53 (0.72) THRBRXFP1MAPTHPGDALDH1A1
SCHEMBL1718407 0.84 ALDH1A1 (0.83) THRBRXFP1MAPTHPGDALDH1A1
SCHEMBL1719480 0.84 MAPT (0.75) THRBRXFP1MAPTHPGDALDH1A1
SCHEMBL1719196 0.84 MAPT (0.80) THRBRXFP1MAPTHPGDALDH1A1
SCHEMBL1718868 0.84 MAPT (0.77) THRBRXFP1MAPTHPGDALDH1A1
SCHEMBL1717962 0.84 TP53 (0.71) THRBRXFP1MAPTHPGDALDH1A1

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