SCHEMBL1719213

SCHEMBL1719213

COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3n2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.73
RXFP1 Q9HBX9 1/20 0.73
MAPT P10636 13/20 0.72
KDM4E B2RXH2 3/20 0.69
HPGD P15428 3/20 0.69
ALDH1A1 P00352 2/20 0.69
HSD17B10 Q99714 1/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
CASP1 P29466 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.68
TP53 P04637 2/20 0.65
POLB P06746 1/20 0.62
TTR P02766 1/20 0.61
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.57

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) THRBRXFP1MAPTKDM4EHPGD
SCHEMBL1720237 0.89 MAPT (0.80) THRBRXFP1MAPTKDM4EHPGD
SCHEMBL1719651 0.89 MAPT (0.74) THRBRXFP1MAPTKDM4EHPGD
SCHEMBL1719994 0.89 MAPT (0.76) THRBMAPTKDM4EHPGDALDH1A1
SCHEMBL1718145 0.88 MAPT (0.77) THRBRXFP1MAPTKDM4EHPGD
SCHEMBL1719193 0.88 MAPT (0.78) THRBRXFP1MAPTKDM4EHPGD
SCHEMBL1718901 0.88 MAPT (0.75) THRBRXFP1MAPTKDM4EHPGD
SCHEMBL1718360 0.86 MAPT (0.73) THRBRXFP1MAPTKDM4EHPGD
SCHEMBL823134 0.86 THRB (0.68) THRBRXFP1MAPTKDM4EHPGD
SCHEMBL1718425 0.85 MAPT (0.84) THRBRXFP1MAPTKDM4EHPGD

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