SCHEMBL1718569

SCHEMBL1718569

COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4C)cc3n2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.72
THRB P10828 3/20 0.72
RXFP1 Q9HBX9 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
KDM4E B2RXH2 4/20 0.71
HPGD P15428 3/20 0.71
ALDH1A1 P00352 2/20 0.71
HSD17B10 Q99714 1/20 0.71
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68
CASP1 P29466 1/20 0.68
TP53 P04637 3/20 0.64
FUBP1 Q96AE4 1/20 0.63
POLB P06746 1/20 0.61
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 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
SCHEMBL823129 0.92 MAPT (0.71) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1718605 0.90 MAPT (0.73) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1718910 0.87 THRB (0.79) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1718901 0.87 MAPT (0.75) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL823135 0.86 MAPT (0.78) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1719697 0.84 THRB (0.77) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1718145 0.84 MAPT (0.77) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1720013 0.84 MAPT (0.76) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL17066247 0.83 MAPT (1.00) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1719651 0.83 MAPT (0.74) MAPTTHRBRXFP1SMN1; SMN2KDM4E

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