SCHEMBL995318

SCHEMBL995318

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
FAAH O00519 1/20 0.41
ATM Q13315 1/20 0.41
S1PR5 Q9H228 1/20 0.41
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 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
SCHEMBL996068 0.91 MAPK1 (0.51) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL995870 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1FAAHHRH3
SCHEMBL16054126 0.82 NPC1 (0.41) KMT2ALMNAALDH1A1NPC1RAB9A
SCHEMBL996079 0.82 NPFFR1 (0.43) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL996077 0.82 NPFFR1 (0.43) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL995317 0.78 ALDH1A1 (0.44) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL16054686 0.77 SIGMAR1 (0.43) KMT2ALMNANPC1RAB9ASMN1; SMN2
SCHEMBL1000040 0.76 SMN1; SMN2 (0.50) KMT2ALMNAALDH1A1NPC1RAB9A
SCHEMBL16054821 0.75 SMN1; SMN2 (0.41) KMT2ALMNANPC1RAB9ASMN1; SMN2
SCHEMBL995981 0.75 ADAM17 (0.43) LMNANPC1RAB9ASMN1; SMN2MMP3

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