SCHEMBL7204867

SCHEMBL7204867

CCCCCN(C)CCCCCCOC1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.40
KCNH2 Q12809 2/20 0.40
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 4/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
GBA1 P04062 1/20 0.38
TP53 P04637 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
SCHEMBL7207312 0.99 LMNA (0.45) LMNAALDH1A1KCNH2THRBHPGD
SCHEMBL7209034 0.88 GBA1 (0.53) LMNAALDH1A1THRBHPGDHTT
SCHEMBL7205051 0.85 LSS (0.46) LMNAALDH1A1THRBHPGDHTT
SCHEMBL7206188 0.84 ALDH1A1 (0.40) LMNAALDH1A1KCNH2THRBHPGD
SCHEMBL7204863 0.82 HTR2A (0.47) ALDH1A1KCNH2CYP19A1KMT2AMAPT
SCHEMBL7204860 0.82 HTR2A (0.47) ALDH1A1KCNH2CYP19A1KMT2AMAPT
SCHEMBL7207309 0.81 HTR2A (0.47) ALDH1A1KCNH2CYP19A1KMT2AMAPT
SCHEMBL7209122 0.81 HTR2A (0.47) ALDH1A1KCNH2CYP19A1KMT2AMAPT
SCHEMBL7210690 0.78 KMT2A (0.38) LMNAKMT2AMEN1
SCHEMBL7205007 0.78 KMT2A (0.38) LMNAKMT2AMEN1

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