SCHEMBL2744185

SCHEMBL2744185

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
HRH1 P35367 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
RELA Q04206 1/20 0.44
GRM5 P41594 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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 0.72 RELA (0.48) HTR2ARELAGRM5MEN1KMT2A
SCHEMBL2744948 0.72 RELA (0.48) HTR2ARELAGRM5MEN1KMT2A
SCHEMBL1830592 0.71 MEN1 (0.46) HTR2ARELAMEN1KMT2AMAOB
SCHEMBL8383905 0.71 HTR2A (0.47) HTR2AHRH1RELAGRM5CYP1A2
SCHEMBL11528382 0.71 HTR2A (0.47) HTR2AHRH1RELAGRM5CYP1A2
(Z)-1,2-Diphenylethene SCHEMBL27459562 0.70 RELA (0.68) RELAGRM5MEN1KMT2AMAOB
SCHEMBL7446112 0.69 RELA (0.45) HTR2ATDP1RELAGRM5MEN1
SCHEMBL7446106 0.69 RELA (0.45) HTR2ATDP1RELAGRM5MEN1
SCHEMBL3727561 0.69 RELA (0.45) HTR2ATDP1RELAGRM5MEN1
SCHEMBL555263 0.69 HTR2A (0.48) HTR2AHRH1TDP1RELAMEN1

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