SCHEMBL995867

SCHEMBL995867

CCCCOC(=O)NOC(=O)C(C)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
PRKAB2 O43741 3/20 0.42
PRKAG1 P54619 3/20 0.42
PRKAA2 P54646 3/20 0.42
PRKAA1 Q13131 3/20 0.42
PRKAG3 Q9UGI9 3/20 0.42
PRKAG2 Q9UGJ0 3/20 0.42
PRKAB1 Q9Y478 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1G O43497 1/20 0.42
HIF1A Q16665 2/20 0.41
EPAS1 Q99814 2/20 0.41
FAAH O00519 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MDH1 P40925 1/20 0.41

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
SCHEMBL996067 0.89 MAPK1 (0.49) ALDH1A1MEN1KMT2ACACNA1G
SCHEMBL995317 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACACNA1GFAAH
SCHEMBL995870 0.80 MEN1 (0.46) L3MBTL1ALDH1A1KDM4EPPARDPPARA
SCHEMBL16054124 0.79 KDM4E (0.39) L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL995866 0.76 PPARD (0.50) L3MBTL1ALDH1A1KDM4EPPARDPPARA
SCHEMBL16054933 0.74 HRH2 (0.41) L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL16054685 0.72 SIGMAR1 (0.38) L3MBTL1KMT2A
SCHEMBL1000039 0.72 SMN1; SMN2 (0.49) L3MBTL1ALDH1A1KMT2AHRH3
SCHEMBL17384116 0.72 SLC6A5 (0.45) MEN1KMT2AFAAHSLC6A5
SCHEMBL27870547 0.72 L3MBTL1 (0.53) L3MBTL1ALDH1A1KDM4EPPARDPPARA

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-2448920-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS Galderma Research & Development (FR) 2012-05-09 EP disclosed
WO-2011001089-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-06 WO disclosed