SCHEMBL1719150

SCHEMBL1719150

O=C(NCc1ccccc1)c1cc2nc(-c3ccc(O)c(O)c3)cc(C(F)(F)F)n2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.63
TP53 P04637 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 7/20 0.61
POLB P06746 3/20 0.57
KDM4E B2RXH2 6/20 0.57
HSD17B10 Q99714 4/20 0.57
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
BAP1 Q92560 1/20 0.56
MYC P01106 1/20 0.56
MAX P61244 1/20 0.56
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
THRB P10828 1/20 0.55
CHRM4 P08173 1/20 0.53
TTR P02766 1/20 0.52

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
SCHEMBL1717957 0.88 TTR (0.70) HPGDTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL1718061 0.88 TP53 (0.67) HPGDTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL1718692 0.88 HPGD (0.67) HPGDTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL1718629 0.87 HPGD (0.68) HPGDTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL1719113 0.86 ALDH1A1 (0.61) HPGDTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1717548 0.85 MAPT (0.76) HPGDTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL1718635 0.85 ALDH1A1 (0.75) HPGDTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL1718870 0.85 ALDH1A1 (0.71) HPGDTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL1718407 0.85 ALDH1A1 (0.83) HPGDTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL1718371 0.85 HPGD (0.71) HPGDTP53SMN1; SMN2ALDH1A1POLB

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