SCHEMBL6162089

SCHEMBL6162089

CCCCCCCCCCC(=O)OC(C)c1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.34
PRKCA P17252 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
P2RX7 Q99572 1/20 0.32
HSP90B1 P14625 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
GAA P10253 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
HSP90AA1 P07900 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6165069 0.83 RECQL (0.30)
SCHEMBL6968462 0.82
SCHEMBL6162100 0.81 DGKA (0.39) MAPTP2RX7CNR1CNR2SLC6A4
SCHEMBL6160859 0.76 P2RX7 (0.39) LMNAMAPTALDH1A1P2RX7HSP90B1
SCHEMBL6161087 0.76 P2RX7 (0.39) LMNAMAPTALDH1A1P2RX7HSP90B1
SCHEMBL8345289 0.74 DRD2 (0.32) HSP90B1HSP90AA1
SCHEMBL6975091 0.73 MEN1 (0.35) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8344961 0.73
SCHEMBL6161094 0.72 LMNA (0.36) LMNAMAPTMAPK1ALDH1A1GAA
SCHEMBL6160868 0.72 LMNA (0.36) LMNAMAPTMAPK1ALDH1A1GAA

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-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed