SCHEMBL2744948

SCHEMBL2744948

CN(C)C(C=Cc1ccccc1)C=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.48
MAOB P27338 1/20 0.44
CYP1A2 P05177 1/20 0.42
GRM5 P41594 1/20 0.42
CHAT P28329 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR2A P28223 2/20 0.39

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
SCHEMBL2744945 1.00 RELA (0.48) RELAMAOBCYP1A2GRM5CHAT
SCHEMBL1132465 0.78 RELA (0.45) RELAMAOBCYP1A2GRM5CHAT
SCHEMBL7446106 0.78 RELA (0.45) RELAMAOBCYP1A2GRM5CHAT
SCHEMBL27983986 0.78 RELA (0.45) RELAMAOBCYP1A2GRM5KMT2A
SCHEMBL7446112 0.78 RELA (0.45) RELAMAOBCYP1A2GRM5CHAT
SCHEMBL3727561 0.78 RELA (0.45) RELAMAOBCYP1A2GRM5CHAT
SCHEMBL10628481 0.75 TRPA1 (0.42) RELAMAOBCYP1A2GRM5CHAT
(Z)-1,2-Diphenylethene SCHEMBL27459562 0.75 RELA (0.68) RELAMAOBGRM5CHATMEN1
SCHEMBL7568407 0.73 CHAT (0.50) RELAMAOBCYP1A2CHATMEN1
SCHEMBL5455161 0.73 MAOB (0.50) MAOBCYP1A2CHATMEN1KMT2A

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-8178009-B2 Slurry for secondary battery electrode, electrode for secondary battery, process for production of electrode for secondary battery, and secondary battery SUMITOMO BAKELITE CO., LTD. (JP) 2012-05-15 US disclosed
US-20100075222-A1 SLURRY FOR SECONDARY BATTERY ELECTRODE, ELECTRODE FOR SECONDARY BATTERY, PROCESS FOR PRODUCTION OF ELECTRODE FOR SECONDARY BATTERY, AND SECONDARY BATTERY SUMITOMO BAKELITE CO., LTD. (JP) 2010-03-25 US disclosed