SCHEMBL1719581

SCHEMBL1719581

COc1ccc(Cl)cc1NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.72
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 5/20 0.65
GAA P10253 2/20 0.65
MYC P01106 1/20 0.63
MAX P61244 1/20 0.63
APOBEC3A P31941 1/20 0.61
HTT P42858 1/20 0.61
THRB P10828 3/20 0.59
RXFP1 Q9HBX9 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
FUBP1 Q96AE4 1/20 0.56
POLB P06746 1/20 0.55
TP53 P04637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
GLA P06280 1/20 0.51

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
SCHEMBL1718874 0.93 KDM4E (0.65) MAPTKDM4EALDH1A1GAAMYC
SCHEMBL1719982 0.89 KDM4E (0.70) MAPTKDM4EALDH1A1GAAMYC
SCHEMBL1719763 0.88 KDM4E (0.69) MAPTKDM4EALDH1A1GAAMYC
SCHEMBL1718587 0.87 KDM4E (0.70) MAPTKDM4EALDH1A1GAAMYC
SCHEMBL1719286 0.86 KDM4E (0.56) MAPTKDM4EALDH1A1GAAMYC
SCHEMBL1718721 0.85 KMT2A (0.56) MAPTKDM4EALDH1A1GAAMYC
SCHEMBL1718962 0.83 KDM4E (0.72) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL14014121 0.82 KDM4E (0.78) MAPTKDM4EALDH1A1GAAMYC
SCHEMBL1718681 0.82 KDM4E (0.70) MAPTKDM4EALDH1A1GAAMYC
SCHEMBL1718439 0.82 KDM4E (0.72) MAPTKDM4EALDH1A1GAAMYC

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