SCHEMBL1717664

SCHEMBL1717664

COc1cc(NC(=O)c2cc3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.64
KDM4E B2RXH2 5/20 0.63
HPGD P15428 5/20 0.63
ALDH1A1 P00352 4/20 0.63
HSD17B10 Q99714 3/20 0.63
THRB P10828 2/20 0.62
CASP1 P29466 2/20 0.62
RXFP1 Q9HBX9 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
TP53 P04637 3/20 0.61
PTGES O14684 1/20 0.60
POLB P06746 1/20 0.56
CASP7 P55210 1/20 0.54
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL1718664 0.90 PTGES (0.74) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1720237 0.86 MAPT (0.80) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL823135 0.85 MAPT (0.78) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1718901 0.84 MAPT (0.75) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1719651 0.84 MAPT (0.74) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1720016 0.84 MAPT (0.80) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1718695 0.84 MYC (0.63) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1718498 0.84 KDM4E (0.65) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1718145 0.83 MAPT (0.77) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1718198 0.82 MAPT (0.58) 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 1 patent. 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 disclosed