SCHEMBL7204442

SCHEMBL7204442

CNCCCCO[C@H]1CC[C@H](N(C)C(=S)Nc2ccc(C#N)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MGAT2 Q10469 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ EPHX2 P34913 3/20 0.33
▸ PKM P14618 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ SAE1 Q9UBE0 1/20 0.32
▸ UBA2 Q9UBT2 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ GCGR P47871 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
SCHEMBL7204439 1.00 LMNA (0.40) LMNAMAPTMGAT2GAASMN1; SMN2
SCHEMBL7210601 0.99 LMNA (0.39) LMNAMAPTMGAT2GAASMN1; SMN2
SCHEMBL7210604 0.99 LMNA (0.39) LMNAMAPTMGAT2GAASMN1; SMN2
SCHEMBL7204672 0.85 LMNA (0.40) LMNAMAPTGAASMN1; SMN2KDM4E
SCHEMBL7204675 0.85 LMNA (0.40) LMNAMAPTGAASMN1; SMN2KDM4E
SCHEMBL7211279 0.85 LMNA (0.37) LMNAMAPTMGAT2GAASMN1; SMN2
SCHEMBL7208986 0.84 LMNA (0.40) LMNAMAPTGAASMN1; SMN2KDM4E
SCHEMBL7208983 0.84 LMNA (0.40) LMNAMAPTGAASMN1; SMN2KDM4E
SCHEMBL4807360 0.83 LSS (0.43) LMNAMAPTMGAT2GAASMN1; SMN2
SCHEMBL4807352 0.83 LSS (0.43) LMNAMAPTMGAT2GAASMN1; SMN2

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
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