SCHEMBL1718360

SCHEMBL1718360

COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)cc3n2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.73
HPGD P15428 4/20 0.67
KDM4E B2RXH2 3/20 0.67
POLB P06746 3/20 0.67
ALDH1A1 P00352 2/20 0.67
HSD17B10 Q99714 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.66
KMT2A Q03164 2/20 0.66
LMNA P02545 2/20 0.66
MEN1 O00255 1/20 0.66
RAB9A P51151 1/20 0.66
CASP1 P29466 2/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
THRB P10828 5/20 0.64
RXFP1 Q9HBX9 2/20 0.64
TP53 P04637 1/20 0.60
CASP7 P55210 1/20 0.58
BAP1 Q92560 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 0.90 MAPT (0.78) MAPTHPGDKDM4EPOLBALDH1A1
SCHEMBL1719059 0.87 MAPT (0.80) MAPTHPGDKDM4EPOLBALDH1A1
SCHEMBL1719343 0.87 ALDH1A1 (0.68) MAPTHPGDKDM4EPOLBALDH1A1
SCHEMBL1718398 0.87 MAPT (0.75) MAPTHPGDKDM4EPOLBALDH1A1
SCHEMBL1719213 0.86 THRB (0.73) MAPTHPGDKDM4EPOLBALDH1A1
SCHEMBL1720237 0.86 MAPT (0.80) MAPTHPGDKDM4EPOLBALDH1A1
SCHEMBL1719196 0.85 MAPT (0.80) MAPTHPGDKDM4EPOLBALDH1A1
SCHEMBL1718145 0.85 MAPT (0.77) MAPTHPGDKDM4EPOLBALDH1A1
SCHEMBL1719450 0.84 MAPT (0.77) MAPTHPGDKDM4EPOLBALDH1A1
SCHEMBL1719651 0.84 MAPT (0.74) MAPTHPGDKDM4EPOLBALDH1A1

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