SCHEMBL1720237

SCHEMBL1720237

COc1ccc(NC(=O)c2cc3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.80
TP53 P04637 3/20 0.80
HPGD P15428 5/20 0.71
KDM4E B2RXH2 4/20 0.71
ALDH1A1 P00352 4/20 0.71
HSD17B10 Q99714 3/20 0.71
CASP1 P29466 2/20 0.71
TSHR P16473 1/20 0.71
MAPK1 P28482 1/20 0.71
THRB P10828 2/20 0.70
RXFP1 Q9HBX9 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
CASP7 P55210 1/20 0.68
POLB P06746 1/20 0.63
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL823135 0.94 MAPT (0.78) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL1718425 0.92 MAPT (0.84) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL1718145 0.92 MAPT (0.77) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL1719213 0.89 THRB (0.73) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL1719651 0.89 MAPT (0.74) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL1718901 0.89 MAPT (0.75) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL1718546 0.87 MAPT (0.72) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL1717664 0.86 MAPT (0.64) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL1718360 0.86 MAPT (0.73) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL17066247 0.85 MAPT (1.00) MAPTTP53HPGDKDM4EALDH1A1

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