SCHEMBL16201010

SCHEMBL16201010

BrCc1cccc2c1-c1cccc3cccc-2c13

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 5/20 0.48
MAPK1 P28482 3/20 0.48
TSHR P16473 3/20 0.48
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
TP53 P04637 1/20 0.43
HIF1A Q16665 1/20 0.43
CES2 O00748 1/20 0.40
BCHE P06276 1/20 0.40
CES1 P23141 1/20 0.40
MCL1 Q07820 1/20 0.40
CYP3A4 P08684 2/20 0.39
PABPC1 P11940 2/20 0.39
DNMT1 P26358 2/20 0.39
TYMS P04818 2/20 0.38
PARP1 P09874 1/20 0.36

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
SCHEMBL4155700 0.80 GABRA1 (0.35) ALDH1A1TSHR
SCHEMBL1628034 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL20616746 0.77 ALDH1A1 (0.45) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL30598018 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL28190 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL5598415 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL4164788 0.72 MAOA (0.40) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL16670486 0.72 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL4438716 0.72 GABRA1 (0.39) ALDH1A1TSHRCYP1B1CYP1A2CYP1A1
SCHEMBL21323909 0.72 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPK1TSHRATM

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-9298115-B2 Electrophotographic photosensitive member, method for manufacturing electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2016-03-29 US disclosed
US-20140322637-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, METHOD FOR MANUFACTURING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2014-10-30 US disclosed