SCHEMBL1719920

SCHEMBL1719920

O=C(ONCc1ccccc1)c1cc2nc(-c3ccncc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
ALDH1A1 P00352 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
HSD17B10 Q99714 3/20 0.59
HPGD P15428 5/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
TP53 P04637 3/20 0.55
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRM4 P08173 1/20 0.49

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
SCHEMBL1719113 0.87 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1719062 0.87 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1718629 0.86 HPGD (0.68) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1718989 0.85 MAPT (0.75) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
Benzylamine SCHEMBL1719919 0.81 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1718870 0.77 ALDH1A1 (0.71) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1718732 0.76 ALDH1A1 (0.75) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1718061 0.76 TP53 (0.67) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1718692 0.76 HPGD (0.67) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1718635 0.75 ALDH1A1 (0.75) 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