SCHEMBL7545882

SCHEMBL7545882

CC/C=C/c1cccc(NC)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.40
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.37
RHOA P61586 1/20 0.37
TSHR P16473 1/20 0.37
KCNH2 Q12809 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ANXA2 P07355 1/20 0.33
S100A10 P60903 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL31149192 0.82 NFE2L2 (0.41) APP
SCHEMBL7951466 0.81 APP (0.37) APPMAOBMAOARHOATSHR
SCHEMBL22369239 0.79 TSHR (0.41) APPTSHRKCNH2PKM
SCHEMBL12707558 0.79 TSHR (0.52) APPMAOBMAOATSHRKCNH2
SCHEMBL14476695 0.78 RAB9A (0.55) MAOBMAOATSHR
SCHEMBL2090801 0.77 TSHR (0.39) APPTSHRKCNH2PKM
SCHEMBL2090802 0.77 TSHR (0.39) APPTSHRKCNH2PKM
SCHEMBL6864491 0.77 NFE2L2 (0.34) APPCYP4F2CYP4A11
SCHEMBL15623096 0.76 APP (0.59) APPKCNH2
SCHEMBL26992510 0.75 NPC1 (0.40) APPMAOBMAOACYP4F2CYP4A11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed
EP-1042274-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-10-11 EP disclosed
WO-2000023418-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 WO disclosed