SCHEMBL1718832

SCHEMBL1718832

CC(=O)c1ccc(NC(=O)c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.71
TP53 P04637 3/20 0.61
THRB P10828 3/20 0.60
LMNA P02545 2/20 0.57
KDM4E B2RXH2 3/20 0.57
RXFP1 Q9HBX9 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CASP1 P29466 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 1/20 0.54
CASP7 P55210 1/20 0.54

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
SCHEMBL1718125 0.93 MAPT (0.80) MAPTTP53THRBLMNAKDM4E
SCHEMBL1719654 0.91 MAPT (0.65) MAPTTP53THRBKDM4ERXFP1
SCHEMBL1718784 0.91 MAPT (0.80) MAPTTP53THRBLMNAKDM4E
SCHEMBL1718665 0.89 MAPT (0.75) MAPTTP53THRBLMNAKDM4E
SCHEMBL1718462 0.87 MAPT (0.59) MAPTTP53THRBKDM4ERXFP1
SCHEMBL1718438 0.87 MAPT (0.74) MAPTTP53THRBLMNAKDM4E
SCHEMBL1717882 0.87 MAPT (0.75) MAPTTP53THRBKDM4ERXFP1
SCHEMBL1718610 0.86 MAPT (0.70) MAPTTP53THRBLMNAKDM4E
SCHEMBL1718752 0.86 MAPT (0.75) MAPTTP53THRBLMNAKDM4E
SCHEMBL1717693 0.84 MAPT (0.73) MAPTTP53THRBLMNAKDM4E

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