SCHEMBL1717548

SCHEMBL1717548

COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccccc4)cc3n2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.76
HPGD P15428 5/20 0.76
KDM4E B2RXH2 5/20 0.76
POLB P06746 2/20 0.76
TSHR P16473 2/20 0.72
CASP1 P29466 2/20 0.72
MAPK1 P28482 1/20 0.72
ALDH1A1 P00352 5/20 0.72
KMT2A Q03164 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
SMN1; SMN2 Q16637 3/20 0.71
THRB P10828 2/20 0.68
RXFP1 Q9HBX9 1/20 0.66
HSD17B10 Q99714 2/20 0.64
TP53 P04637 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
MYC P01106 1/20 0.61
MAX P61244 1/20 0.61
USP2 O75604 1/20 0.61

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
SCHEMBL1718546 0.92 MAPT (0.72) MAPTHPGDKDM4EPOLBTSHR
SCHEMBL1718635 0.89 ALDH1A1 (0.75) MAPTHPGDKDM4EPOLBTSHR
SCHEMBL1719017 0.88 SMN1; SMN2 (0.74) MAPTHPGDKDM4EPOLBTSHR
SCHEMBL1718989 0.88 MAPT (0.75) MAPTHPGDKDM4EPOLBTSHR
SCHEMBL1718145 0.86 MAPT (0.77) MAPTHPGDKDM4EPOLBTSHR
SCHEMBL1718780 0.86 MAPT (0.74) MAPTHPGDKDM4EPOLBTSHR
SCHEMBL1718904 0.86 MYC (0.75) MAPTHPGDKDM4EPOLBTSHR
SCHEMBL1719150 0.85 HPGD (0.63) MAPTHPGDKDM4EPOLBTSHR
SCHEMBL1719343 0.85 ALDH1A1 (0.68) MAPTHPGDKDM4EPOLBTSHR
Benzylamine SCHEMBL1718987 0.85 MAPT (0.82) MAPTHPGDKDM4EPOLBTSHR

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