SCHEMBL3915657

SCHEMBL3915657

CC(C)OCCNS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
ALDH1A1 P00352 7/20 0.58
SIGMAR1 Q99720 4/20 0.55
LMNA P02545 3/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.49
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL386724 0.82 ALDH1A1 (0.75) GAAALDH1A1SIGMAR1LMNAHPGD
SCHEMBL3156389 0.79 GAA (0.83) GAAALDH1A1SIGMAR1LMNAHPGD
SCHEMBL9577239 0.79 SIGMAR1 (0.68) GAAALDH1A1SIGMAR1
SCHEMBL3153289 0.79 SIGMAR1 (0.59) GAAALDH1A1SIGMAR1RAB9AHTT
SCHEMBL3019231 0.76 SIGMAR1 (0.70) GAAALDH1A1SIGMAR1
SCHEMBL23476689 0.75 ALDH1A1 (0.59) GAAALDH1A1SIGMAR1LMNAHPGD
SCHEMBL14303888 0.75 SIGMAR1 (0.63) GAAALDH1A1SIGMAR1LMNA
SCHEMBL2934786 0.75 ALDH1A1 (0.67) GAAALDH1A1SIGMAR1HPGDTSHR
SCHEMBL1892301 0.75 ALDH1A1 (0.49) ALDH1A1LMNAHPGDRAB9AKDM4E
SCHEMBL18377408 0.74 SIGMAR1 (0.67) GAAALDH1A1SIGMAR1

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-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 EP disclosed
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO disclosed