SCHEMBL3717779

SCHEMBL3717779

NC(=O)c1cc(-c2ccc(Br)cc2)nc(NCCN2CCOCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.58
MAPK1 P28482 2/20 0.52
LMNA P02545 5/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 1/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
KMT2A Q03164 3/20 0.46
PIK3CB P42338 1/20 0.45
ACP1 P24666 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MAPT P10636 1/20 0.41
MPI P34949 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3718047 0.87 SCN9A (0.58) SCN9ALMNAALDH1A1POLBHTT
SCHEMBL3717784 0.82 ACP1 (0.47) SCN9AMAPK1LMNAALDH1A1GLA
SCHEMBL3722028 0.80 GRM2 (0.45) SCN9AMAPK1LMNAALDH1A1KMT2A
SCHEMBL3723259 0.77 PTGS1 (0.48) SCN9AALDH1A1NPC1RAB9A
SCHEMBL3720910 0.76 LMNA (0.78) SCN9AMAPK1LMNAALDH1A1GLA
SCHEMBL787531 0.74 SCN9A (1.00) SCN9A
SCHEMBL29421433 0.74 SCN9A (1.00) SCN9A
SCHEMBL3727320 0.74 SCN9A (0.43) SCN9ALMNAALDH1A1GLAHTT
SCHEMBL13187836 0.73 WNT1 (0.42) SCN9ALMNAALDH1A1HTTKMT2A
SCHEMBL3720301 0.72 KMT2A (0.43) KMT2APIK3CB

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
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed