SCHEMBL1719281

SCHEMBL1719281

O=C(Nc1cccc(Cl)c1Cl)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.70
RXFP1 Q9HBX9 3/20 0.70
TP53 P04637 3/20 0.55
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
TTR P02766 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL1718632 0.88 THRB (0.75) THRBRXFP1TP53MAPTSMN1; SMN2
SCHEMBL1718520 0.88 THRB (0.75) THRBRXFP1TP53MAPTSMN1; SMN2
SCHEMBL1719068 0.88 THRB (0.74) THRBRXFP1TP53MAPTSMN1; SMN2
SCHEMBL1720222 0.87 THRB (0.77) THRBRXFP1TP53MAPTSMN1; SMN2
SCHEMBL1720003 0.85 THRB (0.72) THRBRXFP1TP53MAPTSMN1; SMN2
SCHEMBL1719861 0.84 MAPT (0.63) THRBTP53MAPTSMN1; SMN2TTR
SCHEMBL1717993 0.84 THRB (0.65) THRBRXFP1TP53MAPTSMN1; SMN2
SCHEMBL1718462 0.80 MAPT (0.59) THRBRXFP1TP53MAPTSMN1; SMN2
SCHEMBL1718600 0.80 KDM4E (0.73) THRBRXFP1TP53MAPTKDM4E
SCHEMBL1718681 0.80 KDM4E (0.70) THRBRXFP1TP53MAPTSMN1; 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