SCHEMBL3216540

SCHEMBL3216540

Clc1c(Cl)c(Cl)c2cc3cc4cc5ccccc5cc4cc3cc2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.44
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 3/20 0.42
HIF1A Q16665 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HBB P68871 1/20 0.42
MAPT P10636 3/20 0.41
CYP1B1 Q16678 1/20 0.40
NQO1 P15559 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GLA P06280 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
SCHEMBL9550562 1.00 CYP2A6 (0.44) CYP2A6ALDH1A1HSD17B10HIF1ATDP1
SCHEMBL7918983 0.95 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10HIF1ATDP1
Anthracene SCHEMBL28218371 0.86 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10HIF1ATDP1
SCHEMBL31518688 0.86 CYP2A6 (0.50) CYP2A6ALDH1A1HSD17B10HIF1ATDP1
SCHEMBL15757917 0.86 CYP2A6 (0.50) CYP2A6ALDH1A1HSD17B10HIF1ATDP1
SCHEMBL4376119 0.86 CYP3A4 (0.39) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL30843834 0.81 MAOA (0.50) CYP2A6ALDH1A1HSD17B10HIF1ATDP1
SCHEMBL3242358 0.81 MAOA (0.50) CYP2A6ALDH1A1HSD17B10HIF1ATDP1
SCHEMBL4369821 0.80 CYP2A6 (0.41) CYP2A6ALDH1A1HSD17B10HIF1ATDP1
SCHEMBL3240223 0.79 CYP2A6 (0.52) CYP2A6ALDH1A1HSD17B10HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203138-B2 Organic field-effect transistor, production method and intermediate structure therefor, and organic field-effect device NATIONAL INSTITUTE OF JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-06-19 US disclosed
CN-1929927-B Condensed polycyclic aromatic compound thin film and method for producing condensed polycyclic aromatic compound thin film ASAHI KASEI FIBERS CORPERATION 2011-06-15 CN disclosed
CN-1922123-B Polyacene compound and organic semiconductor thin film ASAHI KASEI FIBERS CORPERATION 2010-05-05 CN disclosed
US-20100051913-A1 Organic field-effect transistor, production method and intermediate structure therefor, and organic field-effect device NATIONAL INSTITUTE OF JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-03-04 US disclosed
CN-101412651-A Pentacenes and derivatives thereof, as well as thereof UNIV BEIJING CHEMICAL (CN) 2009-04-22 CN disclosed
CN-1929927-A Condensed polycyclic aromatic compound thin film and method for producing condensed polycyclic aromatic compound thin film ASAHI CHEMICAL IND (JP) 2007-03-14 CN disclosed
CN-1922123-A Polyacene compound and organic semiconductor thin film ASAHI CHEMICAL CORP (JP) 2007-02-28 CN disclosed