SCHEMBL1718752

SCHEMBL1718752

O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.75
TTR P02766 1/20 0.64
THRB P10828 3/20 0.63
TP53 P04637 4/20 0.60
KDM4E B2RXH2 3/20 0.58
LMNA P02545 2/20 0.56
CASP1 P29466 1/20 0.55
RAB9A P51151 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL1717693 0.93 MAPT (0.73) MAPTTTRTHRBTP53KDM4E
SCHEMBL1718125 0.92 MAPT (0.80) MAPTTHRBTP53KDM4ELMNA
SCHEMBL1718673 0.91 KDM4E (0.66) MAPTTTRTHRBTP53KDM4E
SCHEMBL1718665 0.90 MAPT (0.75) MAPTTHRBTP53KDM4ELMNA
SCHEMBL1720199 0.90 THRB (0.77) MAPTTTRTHRBTP53KDM4E
SCHEMBL1719994 0.88 MAPT (0.76) MAPTTTRTHRBTP53KDM4E
SCHEMBL1718438 0.88 MAPT (0.74) MAPTTHRBTP53KDM4ELMNA
SCHEMBL1719243 0.88 MAPT (0.83) MAPTTHRBTP53KDM4ELMNA
SCHEMBL1718821 0.86 MAPT (0.84) MAPTTHRBTP53KDM4ELMNA
SCHEMBL1719385 0.86 THRB (0.71) MAPTTTRTHRBTP53KDM4E

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