SCHEMBL1718155

SCHEMBL1718155

O=C(Nc1ccc(F)cc1F)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.69
MAPT P10636 6/20 0.63
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
HSD17B10 Q99714 3/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TP53 P04637 3/20 0.56
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
CASP1 P29466 1/20 0.55
RXFP1 Q9HBX9 2/20 0.55
GAA P10253 1/20 0.55
POLB P06746 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
SCHEMBL1718750 0.91 MAPT (0.66) THRBMAPTKDM4EALDH1A1LMNA
SCHEMBL1718532 0.89 THRB (0.84) THRBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL1719908 0.87 MAPT (0.68) THRBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL1718195 0.86 MAPT (0.74) THRBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL1718706 0.84 MAPT (0.59) THRBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL1717969 0.83 TP53 (0.72) THRBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL1718359 0.82 ALDH1A1 (0.63) THRBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL1718458 0.82 THRB (0.83) THRBMAPTKDM4EALDH1A1LMNA
SCHEMBL1718244 0.82 THRB (0.66) THRBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL1718632 0.82 THRB (0.75) THRBMAPTKDM4EALDH1A1HSD17B10

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