SCHEMBL28064164

SCHEMBL28064164

O=C(Cc1nccs1)ON1CCC(CCOc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNA5 P22460 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
HPGD P15428 2/20 0.35
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
CHRM5 P08912 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 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
SCHEMBL28064076 0.85 PPARG (0.47) PPARGPPARDPPARACHRM5HTR7
SCHEMBL28088135 0.84 PPARG (0.40) ALDH1A1KCNA5KDM4ESMN1; SMN2LMNA
SCHEMBL28064163 0.83 ALDH1A1 (0.38) SIGMAR1ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL28064161 0.82 HCRTR1 (0.42) SIGMAR1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL2228734 0.81 GRIN2B (0.46) ALDH1A1KMT2AGAAL3MBTL1KCNA5
SCHEMBL28064071 0.81 ALDH1A1 (0.38) SIGMAR1ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL28064074 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AGAAL3MBTL1KCNA5
SCHEMBL28064061 0.81 PPARG (0.37) KCNA5PPARGPPARDPPARACHRM5
SCHEMBL28064167 0.80 KCNA5 (0.46) ALDH1A1KMT2AL3MBTL1KCNA5KDM4E
SCHEMBL28064064 0.79 TEAD1 (0.41) ALDH1A1KMT2AGAAKCNA5KDM4E

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
CN-102803258-B Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SAI NUOFEI (FR) 2016-04-20 CN claimed
CN-105837565-A ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION 赛诺菲 2016-08-10 CN disclosed