SCHEMBL995315

SCHEMBL995315

CCCCOC(=O)NC(C)(C(=O)O)N1CCN(Cc2ccc(C)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
LMNA P02545 4/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
FAAH O00519 1/20 0.42
S1PR5 Q9H228 1/20 0.41
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL996065 0.91 MAPK1 (0.49) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL995866 0.89 PPARD (0.50) ALDH1A1KMT2AMEN1KDM4EFAAH
SCHEMBL16054123 0.82 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL16054684 0.75 ACHE (0.38) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL1000038 0.75 SMN1; SMN2 (0.49) ALDH1A1KMT2ALMNANPC1RAB9A
SCHEMBL995978 0.74 TDP1 (0.41) ALDH1A1KMT2ALMNAKDM4ENPC1
SCHEMBL995318 0.74 MEN1 (0.45) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL16054820 0.73 HRH2 (0.40) ALDH1A1KMT2ALMNAKDM4ENPC1
SCHEMBL995317 0.73 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL996323 0.70 EPHX2 (0.34) ALDH1A1KMT2ANPC1RAB9ATP53

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