SCHEMBL1718409

SCHEMBL1718409

O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.71
MAPT P10636 8/20 0.71
ALDH1A1 P00352 6/20 0.71
GAA P10253 2/20 0.71
APOBEC3A P31941 1/20 0.67
HTT P42858 1/20 0.67
HPGD P15428 4/20 0.61
CASP1 P29466 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CASP7 P55210 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MYC P01106 1/20 0.59
MAX P61244 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
THRB P10828 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
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
SCHEMBL1718613 0.93 MAPT (0.69) KDM4EMAPTALDH1A1GAAAPOBEC3A
SCHEMBL1718624 0.88 THRB (0.73) KDM4EMAPTALDH1A1GAAAPOBEC3A
SCHEMBL1719982 0.86 KDM4E (0.70) KDM4EMAPTALDH1A1GAAAPOBEC3A
SCHEMBL1718680 0.85 KDM4E (0.69) KDM4EMAPTALDH1A1GAAAPOBEC3A
SCHEMBL1718590 0.85 MAPT (0.70) KDM4EMAPTALDH1A1GAAAPOBEC3A
SCHEMBL1720199 0.85 THRB (0.77) KDM4EMAPTALDH1A1HPGDCASP1
SCHEMBL1718587 0.84 KDM4E (0.70) KDM4EMAPTALDH1A1GAAAPOBEC3A
SCHEMBL1718681 0.84 KDM4E (0.70) KDM4EMAPTALDH1A1GAAAPOBEC3A
SCHEMBL1717991 0.84 KMT2A (0.60) KDM4EMAPTALDH1A1GAAAPOBEC3A
SCHEMBL1718439 0.82 KDM4E (0.72) KDM4EMAPTALDH1A1GAAAPOBEC3A

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