SCHEMBL3329263

SCHEMBL3329263

Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1-c1cccc2cc3ccc4cc5ccccc5cc4c3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
DNMT1 P26358 1/20 0.33
GSR P00390 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 2/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL3326446 0.85 ALDH1A1 (0.40) GSRALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL26529649 0.85 POLB (0.38) CYP2A6DNMT1ALDH1A1CYP1A2HPGD
SCHEMBL29291486 0.84 GSR (0.41) CYP2A6DNMT1GSRALDH1A1CYP1A2
SCHEMBL1832121 0.83 DNMT1 (0.41) CYP2A6DNMT1ALDH1A1IDO1TDO2
SCHEMBL29385368 0.77 CYP2A6 (0.35) CYP2A6DNMT1ALDH1A1CYP1A2MEN1
SCHEMBL18566800 0.76 ALDH1A1 (0.39) GSRALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL2019199 0.75 TDP1 (0.40) CYP2A6GSRALDH1A1HSD17B10CYP1A2
SCHEMBL17621891 0.75 IDO1 (0.36) CYP2A6DNMT1ALDH1A1CYP1A2HPGD
SCHEMBL26529663 0.75 DNMT1 (0.39) DNMT1ALDH1A1IDO1TDO2IDO2
SCHEMBL26529975 0.75 GABRA1 (0.43) DNMT1HPGDIDO1TDO2IDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461282-B2 (Pentaphenyl)phenyl group containing compound, polymeric derivative thereof and method for forming the same NATIONAL TAIWAN UNIVERSITY (TW) 2013-06-11 US disclosed
US-20100137461-A1 (Pentaphenyl)phenyl Group Containing Compound, Polymeric Derivative Thereof And Method For Forming The Same NATIONAL TAIWAN UNIVERSITY (TW) 2010-06-03 US disclosed
US-20080293945-A1 (Pentaphenyl)phenyl Group Containing Compound, Polymeric Derivative Thereof And Method For Forming The Same NATIONAL TAIWAN UNIVERSITY (TW) 2008-11-27 US disclosed