SCHEMBL1718462

SCHEMBL1718462

CC(=O)c1ccc(NC(=O)c2cc3nc(-c4ccc([N+](=O)[O-])cc4)cc(C(F)(F)F)n3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
TP53 P04637 2/20 0.58
THRB P10828 2/20 0.56
RXFP1 Q9HBX9 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 2/20 0.51
CASP1 P29466 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 2/20 0.51
CASP7 P55210 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL1719861 0.90 MAPT (0.63) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL1719654 0.88 MAPT (0.65) MAPTTP53THRBRXFP1SMN1; SMN2
SCHEMBL1718832 0.87 MAPT (0.71) MAPTTP53THRBRXFP1SMN1; SMN2
SCHEMBL1720016 0.84 MAPT (0.80) MAPTTP53THRBRXFP1SMN1; SMN2
SCHEMBL1717882 0.83 MAPT (0.75) MAPTTP53THRBRXFP1SMN1; SMN2
SCHEMBL1719325 0.82 MAPT (0.71) MAPTTP53THRBRXFP1SMN1; SMN2
SCHEMBL1719450 0.81 MAPT (0.77) MAPTTP53THRBRXFP1SMN1; SMN2
SCHEMBL1720222 0.81 THRB (0.77) MAPTTP53THRBRXFP1SMN1; SMN2
SCHEMBL1718125 0.80 MAPT (0.80) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL1719281 0.80 THRB (0.70) MAPTTP53THRBRXFP1SMN1; SMN2

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