SCHEMBL7209346

SCHEMBL7209346

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
NMT1 P30419 1/20 0.36
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35

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 0.90 KDM4E (0.40) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL7208930 0.89 MEN1 (0.41) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL4804845 0.81 MEN1 (0.42) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL4804850 0.81 MEN1 (0.42) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL7208957 0.81 EPHX2 (0.42)
SCHEMBL4806203 0.79 MAPK1 (0.44) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL4806206 0.79 MAPK1 (0.44) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL7204545 0.79 EPHX2 (0.40) RECQLMAPK1
SCHEMBL7211914 0.78 KDM4E (0.41) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL7206295 0.77 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