SCHEMBL11289129

SCHEMBL11289129

Nc1c(Cl)cc(CC(=O)c2ccccc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMO Q99835 1/20 0.48
PLAU P00749 2/20 0.46
MAPK1 P28482 2/20 0.46
GSK3B P49841 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TRPA1 O75762 1/20 0.46
HIF1A Q16665 1/20 0.46
SRD5A2 P31213 2/20 0.45
HSD11B1 P28845 1/20 0.45
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CES1 P23141 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL11289132 0.86 MAPT (0.59) MAPTL3MBTL1SMOPLAUSRD5A2
SCHEMBL1515710 0.81 S1PR5 (0.59) MAPTL3MBTL1SMOPLAUMAPK1
SCHEMBL28042412 0.79 PLAU (0.46) MAPTL3MBTL1PLAUMAPK1ALDH1A1
SCHEMBL3007072 0.77 CA2 (0.55) MAPTALDH1A1HIF1AKDM4ECYP3A4
SCHEMBL2599737 0.77 PIK3CA (0.58) MAPTL3MBTL1SMOPLAUMAPK1
SCHEMBL7349990 0.75 CTNNB1 (0.41) MAPTL3MBTL1SMOMAPK1GSK3B
SCHEMBL7199268 0.75 MAPT (0.67) MAPTL3MBTL1SMOPLAUMAPK1
SCHEMBL24800 0.75 MAPT (0.73) MAPTL3MBTL1PLAUMAPK1GSK3B
SCHEMBL3673844 0.74 L3MBTL1 (0.49) MAPTL3MBTL1SMOPLAUMAPK1
SCHEMBL3060994 0.74 PLAU (0.60) MAPTL3MBTL1SMOPLAUMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006298-B1 ANTI-INFLAMMATORY 1-PHENYL-2-AMINOETHANOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF FOR TOPICAL USE, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-31 EP disclosed
US-4303649-A ANTIINFLAMMATORY AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-12-01 US disclosed
EP-0006298-A1 Anti-inflammatory 1-phenyl-2-aminoethanol derivatives, pharmaceutical compositions thereof for topical use, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-01-09 EP disclosed