SCHEMBL6549867

SCHEMBL6549867

CC(=NO)c1ccc(COc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
CA9 Q16790 1/20 0.34
CCR5 P51681 1/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN9A Q15858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PPARG P37231 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL6548004 0.89 HTT (0.35) HTTCA9PPARG
SCHEMBL6548842 0.89 HRH3 (0.43) HTTMAOAMAOBCCR5MAPT
SCHEMBL6549405 0.89 NPC1 (0.35) HTTMAOAMAOBCCR5MAPT
SCHEMBL6549004 0.88 NPC1 (0.35) HTTMAOAMAOBCCR5MAPT
SCHEMBL6547693 0.86 HTT (0.41) HTTMAOAMAOBCA9MAPT
SCHEMBL6548809 0.86 HTT (0.33) HTTMAOAMAOBCCR5MAPT
SCHEMBL6547607 0.86 HTT (0.33) HTTMAOAMAOBCCR5MAPT
SCHEMBL6549819 0.86 MAOB (0.51) HTTMAOAMAOBMAPTHRH3
SCHEMBL6548880 0.85 HTT (0.41) HTTCA9MAPTMEN1KMT2A
SCHEMBL6548903 0.85 HTT (0.41) HTTCA9MAPTLMNAPPARG

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-0975586-B1 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP claimed