SCHEMBL1718263

SCHEMBL1718263

COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(Cl)ccc4C)cc3n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.75
TP53 P04637 4/20 0.72
THRB P10828 4/20 0.69
HPGD P15428 5/20 0.68
HSD17B10 Q99714 5/20 0.68
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 3/20 0.68
CASP1 P29466 3/20 0.68
CASP7 P55210 3/20 0.68
RXFP1 Q9HBX9 2/20 0.60
TSHR P16473 2/20 0.59
USP2 O75604 1/20 0.59
ALOX15 P16050 1/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL1718605 0.92 MAPT (0.73) MAPTTP53THRBHPGDHSD17B10
SCHEMBL1718362 0.90 THRB (0.82) MAPTTP53THRBHPGDHSD17B10
SCHEMBL1718157 0.89 TP53 (0.81) MAPTTP53THRBHPGDHSD17B10
SCHEMBL1718091 0.84 TP53 (0.73) MAPTTP53THRBHPGDHSD17B10
SCHEMBL1719103 0.84 TP53 (0.70) MAPTTP53THRBHPGDHSD17B10
SCHEMBL1719086 0.84 TP53 (0.81) MAPTTP53THRBHPGDHSD17B10
SCHEMBL1718506 0.84 TP53 (0.74) MAPTTP53THRBHPGDHSD17B10
SCHEMBL1719994 0.82 MAPT (0.76) MAPTTP53THRBHPGDHSD17B10
SCHEMBL1718569 0.82 MAPT (0.72) MAPTTP53THRBHPGDHSD17B10
SCHEMBL1720013 0.81 MAPT (0.76) MAPTTP53THRBHPGDHSD17B10

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