SCHEMBL4081266

SCHEMBL4081266

[CH2]c1ccc(S(=O)(=O)N(CCC)CCC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 11/20 0.62
CA12 O43570 10/20 0.62
CA2 P00918 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
RAB9A P51151 2/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
SLC22A8 Q8TCC7 1/20 0.62
ABCC2 Q92887 1/20 0.62
SLC22A12 Q96S37 1/20 0.62
UGT1A7 Q9HAW7 1/20 0.62
SLC22A11 Q9NSA0 1/20 0.62
CA1 P00915 8/20 0.57
LMNA P02545 4/20 0.53
ALDH1A1 P00352 2/20 0.53
VCAM1 P19320 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL4069104 0.84 LMNA (0.70) SMN1; SMN2RAB9ALMNAALDH1A1VCAM1
Ditolamide SCHEMBL2110790 0.82 CA9 (0.64) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL13990835 0.81 CA9 (0.62) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL28808612 0.81 CA9 (0.62) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL414560 0.81 CA9 (0.62) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL24162488 0.81 KMT2A (0.74) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL2932532 0.81 CA9 (0.62) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL2057514 0.80 CA9 (0.66) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL17946208 0.79 CA9 (0.73) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL13990652 0.78 CA9 (0.58) CA9CA12CA2SMN1; SMN2RAB9A

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-2117577-A1 G PROTEIN-COUPLED RECEPTOR AND MODULATORS THEREOF FOR THE TREATMENT OF GABA-RELATED NEUROLOGICAL DISORDERS INCLUDING SLEEP-RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2009-11-18 EP disclosed
WO-2008085888-A1 G PROTEIN-COUPLED RECEPTOR AND MODULATORS THEREOF FOR THE TREATMENT OF GABA-RELATED NEUROLOGICAL DISORDERS INCLUDING SLEEP-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed