SCHEMBL1718384

SCHEMBL1718384

O=C(Nc1cccc(Cl)c1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.71
MAPT P10636 8/20 0.69
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 4/20 0.58
HSD17B10 Q99714 3/20 0.58
RAB9A P51151 2/20 0.58
CASP1 P29466 1/20 0.58
TP53 P04637 2/20 0.56
TSHR P16473 1/20 0.55
GAA P10253 1/20 0.55
RXFP1 Q9HBX9 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
SCHEMBL1718736 0.92 THRB (0.83) THRBMAPTKDM4EALDH1A1HPGD
SCHEMBL1719243 0.91 MAPT (0.83) THRBMAPTKDM4EHSD17B10RAB9A
SCHEMBL1718510 0.91 THRB (0.85) THRBMAPTKDM4EALDH1A1HPGD
SCHEMBL1719908 0.89 MAPT (0.68) THRBMAPTKDM4EALDH1A1HPGD
SCHEMBL1718673 0.87 KDM4E (0.66) THRBMAPTKDM4EALDH1A1HPGD
SCHEMBL1718639 0.86 MAPT (0.84) THRBMAPTKDM4EALDH1A1HPGD
SCHEMBL1718868 0.85 MAPT (0.77) THRBMAPTKDM4EALDH1A1HPGD
SCHEMBL1718532 0.85 THRB (0.84) THRBMAPTKDM4EALDH1A1HPGD
SCHEMBL1718632 0.84 THRB (0.75) THRBMAPTKDM4EALDH1A1HPGD
SCHEMBL1718195 0.84 MAPT (0.74) THRBMAPTKDM4EALDH1A1HPGD

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