SCHEMBL1718692

SCHEMBL1718692

O=C(NCc1ccccc1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
TP53 P04637 2/20 0.67
KDM4E B2RXH2 6/20 0.61
HSD17B10 Q99714 4/20 0.61
MAPT P10636 4/20 0.61
POLB P06746 2/20 0.61
THRB P10828 2/20 0.60
ALDH1A1 P00352 5/20 0.60
CASP1 P29466 2/20 0.59
USP2 O75604 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
CASP7 P55210 1/20 0.59
CHRM4 P08173 1/20 0.58
MYC P01106 1/20 0.56
MAX P61244 1/20 0.56
TTR P02766 1/20 0.56
RAB9A P51151 1/20 0.55

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
SCHEMBL1718451 0.96 HPGD (0.69) HPGDSMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL1718359 0.91 ALDH1A1 (0.63) HPGDSMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL1717957 0.91 TTR (0.70) HPGDSMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL1718476 0.91 MAPT (0.62) HPGDSMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL1718061 0.90 TP53 (0.67) HPGDSMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL1718629 0.89 HPGD (0.68) HPGDSMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL1718635 0.88 ALDH1A1 (0.75) HPGDSMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL1719150 0.88 HPGD (0.63) HPGDSMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL1719619 0.87 THRB (0.54) HPGDSMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL1718371 0.87 HPGD (0.71) HPGDSMN1; SMN2TP53KDM4EHSD17B10

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