SCHEMBL1718901

SCHEMBL1718901

COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3n2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.75
KDM4E B2RXH2 3/20 0.74
HPGD P15428 3/20 0.74
ALDH1A1 P00352 2/20 0.74
HSD17B10 Q99714 1/20 0.74
TSHR P16473 1/20 0.71
MAPK1 P28482 1/20 0.71
CASP1 P29466 1/20 0.71
THRB P10828 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
RXFP1 Q9HBX9 1/20 0.70
TP53 P04637 3/20 0.67
POLB P06746 1/20 0.63
FUBP1 Q96AE4 1/20 0.63
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TDP1 Q9NUW8 1/20 0.58

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 0.92 MAPT (0.78) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1719651 0.91 MAPT (0.74) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1718145 0.90 MAPT (0.77) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1720237 0.89 MAPT (0.80) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1719213 0.88 THRB (0.73) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1718569 0.87 MAPT (0.72) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL823129 0.86 MAPT (0.71) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL17066247 0.85 MAPT (1.00) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1718425 0.85 MAPT (0.84) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1719697 0.85 THRB (0.77) MAPTKDM4EHPGDALDH1A1HSD17B10

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