SCHEMBL1718451

SCHEMBL1718451

O=C(NCc1ccc(Cl)cc1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.69
TP53 P04637 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
KDM4E B2RXH2 5/20 0.64
HSD17B10 Q99714 5/20 0.64
POLB P06746 1/20 0.63
THRB P10828 2/20 0.63
ALDH1A1 P00352 5/20 0.62
MYC P01106 1/20 0.59
MAX P61244 1/20 0.59
MAPT P10636 2/20 0.58
CASP1 P29466 2/20 0.56
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
CASP7 P55210 1/20 0.56
RAB9A P51151 1/20 0.55
CHRM4 P08173 1/20 0.54
MAPK1 P28482 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
SCHEMBL1718692 0.96 HPGD (0.67) HPGDTP53SMN1; SMN2KDM4EHSD17B10
SCHEMBL1718359 0.91 ALDH1A1 (0.63) HPGDTP53SMN1; SMN2KDM4EHSD17B10
SCHEMBL1718371 0.91 HPGD (0.71) HPGDTP53SMN1; SMN2KDM4EHSD17B10
SCHEMBL1718476 0.91 MAPT (0.62) HPGDTP53SMN1; SMN2KDM4EHSD17B10
SCHEMBL1718904 0.88 MYC (0.75) HPGDTP53SMN1; SMN2KDM4EHSD17B10
SCHEMBL1719619 0.87 THRB (0.54) HPGDTP53SMN1; SMN2KDM4EHSD17B10
SCHEMBL1718629 0.87 HPGD (0.68) HPGDTP53SMN1; SMN2KDM4EHSD17B10
SCHEMBL1717957 0.87 TTR (0.70) HPGDTP53SMN1; SMN2KDM4EHSD17B10
SCHEMBL1718061 0.86 TP53 (0.67) HPGDTP53SMN1; SMN2KDM4EHSD17B10
SCHEMBL1718870 0.86 ALDH1A1 (0.71) HPGDTP53SMN1; SMN2KDM4EHSD17B10

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