SCHEMBL7210252

SCHEMBL7210252

CCCCCN(C)CCSCC1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.45
LMNA P02545 3/20 0.45
CNR2 P34972 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.40
GBA1 P04062 1/20 0.39
TP53 P04637 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL7211573 0.88 LSS (0.57) LSSLMNACNR2KMT2AALDH1A1
SCHEMBL7209669 0.87 LSS (0.58) LSSLMNACNR2KMT2AALDH1A1
SCHEMBL7210250 0.85 LSS (0.63) LSS
SCHEMBL7210243 0.85 LSS (0.63) LSS
SCHEMBL7205051 0.82 LSS (0.46) LSSLMNACNR2KMT2AALDH1A1
SCHEMBL7204703 0.75 CNR2 (0.53) LSSLMNACNR2KMT2AMEN1
SCHEMBL5092120 0.74 LSS (0.46) LSSLMNACNR2KMT2AALDH1A1
SCHEMBL5070017 0.74 LSS (0.45) LSSLMNACNR2KMT2AALDH1A1
SCHEMBL7211570 0.72 LSS (0.80) LSS
SCHEMBL7211566 0.72 LSS (0.80) LSS

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