SCHEMBL1718904

SCHEMBL1718904

COc1ccc(CNC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.75
MAX P61244 1/20 0.75
ALDH1A1 P00352 7/20 0.73
KDM4E B2RXH2 6/20 0.73
HPGD P15428 5/20 0.73
HSD17B10 Q99714 4/20 0.73
CASP1 P29466 2/20 0.73
CASP7 P55210 2/20 0.73
USP2 O75604 1/20 0.73
ALOX15 P16050 1/20 0.73
TSHR P16473 1/20 0.73
TP53 P04637 5/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CHRM4 P08173 1/20 0.66
MAPT P10636 4/20 0.64
POLB P06746 2/20 0.64
THRB P10828 1/20 0.64
GAA P10253 2/20 0.63
GLA P06280 1/20 0.62

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
SCHEMBL1718635 0.96 ALDH1A1 (0.75) MYCMAXALDH1A1KDM4EHPGD
SCHEMBL1718655 0.91 ALDH1A1 (0.71) MYCMAXALDH1A1KDM4EHPGD
SCHEMBL1718371 0.89 HPGD (0.71) MYCMAXALDH1A1KDM4EHPGD
SCHEMBL1718546 0.89 MAPT (0.72) MYCMAXALDH1A1KDM4EHPGD
SCHEMBL1719119 0.88 HPGD (0.67) MYCMAXALDH1A1KDM4EHPGD
SCHEMBL1718451 0.88 HPGD (0.69) MYCMAXALDH1A1KDM4EHPGD
SCHEMBL1719764 0.88 CHRM4 (0.74) MYCMAXALDH1A1KDM4EHPGD
SCHEMBL1718190 0.87 ALDH1A1 (0.71) MYCMAXALDH1A1KDM4EHPGD
SCHEMBL14725134 0.86 MYC (1.00) MYCMAXALDH1A1KDM4EHPGD
SCHEMBL20467403 0.86 ALDH1A1 (0.77) MYCMAXALDH1A1KDM4EHPGD

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