SCHEMBL7208930

SCHEMBL7208930

CCCCCN(C)CCCCCCOC1CCC(NS(=O)(=O)c2ccc(COC)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
NMT1 P30419 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
STS P08842 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL7210660 0.89 KDM4E (0.40) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL7209346 0.89 KDM4E (0.40) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL4804850 0.82 MEN1 (0.42) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL4806206 0.82 MAPK1 (0.44) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL4806203 0.82 MAPK1 (0.44) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL4804845 0.82 MEN1 (0.42) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL7203242 0.82 EPHX2 (0.41)
SCHEMBL7204545 0.78 EPHX2 (0.40) RECQLGLA
SCHEMBL7211914 0.77 KDM4E (0.41) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL7206295 0.76 ALDH1A1 (0.34) MEN1KMT2AALDH1A1

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-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed