SCHEMBL995870

SCHEMBL995870

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 2/20 0.45
EPAS1 Q99814 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
PRKAB2 O43741 4/20 0.44
PRKAG1 P54619 4/20 0.44
PRKAA2 P54646 4/20 0.44
PRKAA1 Q13131 4/20 0.44
PRKAG3 Q9UGI9 4/20 0.44
PRKAG2 Q9UGJ0 4/20 0.44
PRKAB1 Q9Y478 4/20 0.44
FAAH O00519 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL996068 0.89 MAPK1 (0.51) MEN1KMT2AALDH1A1FAAHMMP1
SCHEMBL995318 0.88 MEN1 (0.45) MEN1KMT2AALDH1A1FAAHHRH3
SCHEMBL995578 0.84 HIF1A (0.48) MEN1KMT2AHIF1AEPAS1L3MBTL1
SCHEMBL995576 0.84 HIF1A (0.48) MEN1KMT2AHIF1AEPAS1L3MBTL1
SCHEMBL995867 0.80 L3MBTL1 (0.47) MEN1KMT2AHIF1AEPAS1L3MBTL1
SCHEMBL16054126 0.79 NPC1 (0.41) KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL995866 0.77 PPARD (0.50) MEN1KMT2AHIF1AEPAS1L3MBTL1
SCHEMBL995515 0.75 KDM4E (0.54) MEN1KMT2AHIF1AEPAS1L3MBTL1
SCHEMBL995513 0.75 KDM4E (0.54) MEN1KMT2AHIF1AEPAS1L3MBTL1
SCHEMBL16054821 0.74 SMN1; SMN2 (0.41) KMT2AL3MBTL1KDM4E

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