SCHEMBL2773829

SCHEMBL2773829

CN(C)c1ccc(C=Cc2cccc(N(C)C)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.71
RELA Q04206 1/20 0.70
MAT2A P31153 1/20 0.58
KCNH2 Q12809 1/20 0.58
PTGS1 P23219 1/20 0.56
NQO2 P16083 1/20 0.56
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CASP1 P29466 2/20 0.55
HBB P68871 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
ALOX15 P16050 1/20 0.55
RAB9A P51151 1/20 0.55
GAA P10253 1/20 0.52
BRCA1 P38398 1/20 0.52
CASP7 P55210 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL2773826 1.00 APP (0.71) APPRELAMAT2AKCNH2PTGS1
SCHEMBL10339262 0.92 RELA (0.76) APPRELAMAT2AKCNH2PTGS1
SCHEMBL10339261 0.92 RELA (0.76) APPRELAMAT2AKCNH2PTGS1
SCHEMBL2775532 0.90 RELA (0.67) APPRELAMAT2AKCNH2PTGS1
SCHEMBL2775527 0.90 RELA (0.67) APPRELAMAT2AKCNH2PTGS1
SCHEMBL13264738 0.87 APP (0.67) APPRELAPTGS1NQO2ALDH1A1
SCHEMBL14387613 0.85 APP (0.67) APPRELAMAT2AKCNH2PTGS1
SCHEMBL13264714 0.84 CYP1A1 (0.58) APPRELAMAT2AKCNH2PTGS1
SCHEMBL13264720 0.84 RELA (0.67) APPRELANQO2TUBB4ATUBB
SCHEMBL11895254 0.83 NFE2L2 (0.67) APPRELAMAT2AKCNH2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100302927-A1 OPTICAL DATA STORAGE MEDIUM AND METHODS FOR USING THE SAME GENERAL ELECTRIC COMPANY (US) 2010-12-02 US disclosed