SCHEMBL1719062

SCHEMBL1719062

O=C(ONCc1ccccc1)c1cc2nc(-c3ccccn3)cc(C(F)(F)F)n2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 9/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
HSD17B10 Q99714 3/20 0.51
HPGD P15428 5/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
THRB P10828 1/20 0.45
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
APOBEC3A P31941 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL1719920 0.87 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2L3MBTL1HSD17B10
SCHEMBL1718312 0.86 HPGD (0.60) KDM4EALDH1A1SMN1; SMN2L3MBTL1HSD17B10
SCHEMBL1719113 0.84 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2L3MBTL1HSD17B10
SCHEMBL1718787 0.82 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2L3MBTL1HSD17B10
SCHEMBL1718989 0.81 MAPT (0.75) KDM4EALDH1A1SMN1; SMN2L3MBTL1HSD17B10
Benzylamine SCHEMBL1719060 0.81 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2L3MBTL1HSD17B10
SCHEMBL1718629 0.72 HPGD (0.68) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1718870 0.71 ALDH1A1 (0.71) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1718061 0.70 TP53 (0.67) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1718692 0.70 HPGD (0.67) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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 1 patent. 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