SCHEMBL1718371

SCHEMBL1718371

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

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.71
TP53 P04637 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
KDM4E B2RXH2 7/20 0.66
ALDH1A1 P00352 6/20 0.66
HSD17B10 Q99714 4/20 0.65
POLB P06746 1/20 0.64
THRB P10828 1/20 0.61
MYC P01106 1/20 0.59
MAX P61244 1/20 0.59
USP2 O75604 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
MAPK1 P28482 1/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 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 0.91 HPGD (0.69) HPGDTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1718359 0.90 ALDH1A1 (0.63) HPGDTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1718904 0.89 MYC (0.75) HPGDTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1718629 0.88 HPGD (0.68) HPGDTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1718692 0.87 HPGD (0.67) HPGDTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1718061 0.87 TP53 (0.67) HPGDTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1718870 0.87 ALDH1A1 (0.71) HPGDTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1718732 0.86 ALDH1A1 (0.75) HPGDTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1718635 0.85 ALDH1A1 (0.75) HPGDTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1719150 0.85 HPGD (0.63) HPGDTP53SMN1; SMN2KDM4EALDH1A1

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