SCHEMBL1718458

SCHEMBL1718458

O=C(Nc1ccc(Cl)cc1Cl)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.83
MAPT P10636 8/20 0.66
TP53 P04637 2/20 0.59
LMNA P02545 2/20 0.57
RXFP1 Q9HBX9 3/20 0.56
TTR P02766 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 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
SCHEMBL1719385 0.93 THRB (0.71) THRBMAPTTP53LMNARXFP1
SCHEMBL1718532 0.91 THRB (0.84) THRBMAPTTP53RXFP1TTR
SCHEMBL1719991 0.90 THRB (0.82) THRBMAPTTP53RXFP1TTR
SCHEMBL1718808 0.90 MAPT (0.73) THRBMAPTTP53LMNARXFP1
SCHEMBL1718362 0.88 THRB (0.82) THRBMAPTTP53RXFP1KDM4E
SCHEMBL1717993 0.88 THRB (0.65) THRBMAPTTP53LMNARXFP1
SCHEMBL1718665 0.87 MAPT (0.75) THRBMAPTTP53LMNAKDM4E
SCHEMBL1720222 0.87 THRB (0.77) THRBMAPTTP53RXFP1TTR
SCHEMBL1719068 0.86 THRB (0.74) THRBMAPTTP53LMNARXFP1
SCHEMBL1718440 0.86 TP53 (0.67) THRBMAPTTP53LMNARXFP1

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