SCHEMBL1720003

SCHEMBL1720003

O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.72
MAPT P10636 7/20 0.58
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RXFP1 Q9HBX9 3/20 0.53
TP53 P04637 1/20 0.52
TTR P02766 1/20 0.52
KDM4E B2RXH2 4/20 0.51
CASP1 P29466 1/20 0.51
RAB9A P51151 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
SCHEMBL1720222 0.95 THRB (0.77) THRBMAPTALDH1A1HSD17B10HPGD
SCHEMBL1717993 0.93 THRB (0.65) THRBMAPTSMN1; SMN2RXFP1TP53
SCHEMBL1719861 0.88 MAPT (0.63) THRBMAPTALDH1A1HSD17B10HPGD
SCHEMBL1719281 0.85 THRB (0.70) THRBMAPTALDH1A1HSD17B10HPGD
SCHEMBL1719069 0.84 PTGES (0.60) THRBMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1718532 0.84 THRB (0.84) THRBMAPTALDH1A1HSD17B10HPGD
SCHEMBL1718458 0.84 THRB (0.83) THRBMAPTALDH1A1HSD17B10HPGD
SCHEMBL1719619 0.83 THRB (0.54) THRBMAPTALDH1A1HSD17B10HPGD
SCHEMBL1719991 0.83 THRB (0.82) THRBMAPTALDH1A1HSD17B10HPGD
SCHEMBL1718362 0.81 THRB (0.82) THRBMAPTALDH1A1HSD17B10HPGD

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