SCHEMBL1628034

SCHEMBL1628034

BrCc1cc2c(cc1CBr)-c1cccc3cccc-2c13

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 6/20 0.58
MAPK1 P28482 4/20 0.58
TSHR P16473 4/20 0.58
CASP1 P29466 3/20 0.58
HPGD P15428 3/20 0.58
CASP7 P55210 2/20 0.58
HIF1A Q16665 2/20 0.58
TP53 P04637 1/20 0.58
ATM Q13315 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CES2 O00748 1/20 0.43
BCHE P06276 1/20 0.43
CES1 P23141 1/20 0.43
MCL1 Q07820 1/20 0.43
PABPC1 P11940 3/20 0.42
CYP3A4 P08684 2/20 0.42
DNMT1 P26358 2/20 0.42
TYMS P04818 2/20 0.40
PARP1 P09874 1/20 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
SCHEMBL21323909 0.91 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL16201010 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL23709241 0.75 ALDH1A1 (0.65) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL30598018 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10MAPK1TSHRCASP1
Benzo(K)Fluoranthene SCHEMBL175484 0.74 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRCASP1
Benzo(K)Fluoranthene SCHEMBL29393074 0.74 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL28190 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10MAPK1TSHRCASP1
Ammonia Solution, Strong SCHEMBL27626211 0.72 ALDH1A1 (0.81) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL5598415 0.72 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL234436 0.71 CYP2A6 (0.42) ALDH1A1HSD17B10TSHRHIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519613-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2013-08-27 US disclosed
US-8519613-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2013-08-27 US disclosed
US-20120085996-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2012-04-12 US disclosed
US-20120085996-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2012-04-12 US disclosed
US-8102116-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2012-01-24 US disclosed
US-8102116-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2012-01-24 US disclosed
US-20100157131-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2010-06-24 US disclosed
US-20100157131-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2010-06-24 US disclosed