SCHEMBL14799863

SCHEMBL14799863

c1ccc2cc3c(cc2c1)=c1cc2ccccc2cc1=3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.54
ALOX12 P18054 1/20 0.54
NQO2 P16083 1/20 0.47
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 5/20 0.45
CYP1A2 P05177 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
HIF1A Q16665 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL25278946 0.93 CYP2A6 (0.47) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
Anthracene SCHEMBL5713429 0.82 CYP2A6 (0.64) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
Anthracene SCHEMBL2833889 0.82 CYP2A6 (0.64) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
Anthracene SCHEMBL29352043 0.82 CYP2A6 (0.64) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
Anthracene SCHEMBL7703 0.82 CYP2A6 (0.64) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
Anthracene SCHEMBL1395160 0.78 CYP2A6 (0.58) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
Anthracene SCHEMBL12988658 0.78 CYP2A6 (0.58) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
Benz(B)Anthracene SCHEMBL22352910 0.78 ALDH1A1 (0.61) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
SCHEMBL22634171 0.78 ALDH1A1 (0.61) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
Anthracene SCHEMBL9326689 0.78 CYP2A6 (0.58) CYP2A6ALOX12NQO2ALDH1A1HSD17B10

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-9350012-B2 Rechargeable organosodium polymer battery EMPIRE TECHNOLOGY DEVELOPMENT, LLC (US) 2016-05-24 US disclosed
WO-2013043186-A1 RECHARGEABLE ORGANOSODIUM POLYMER BATTERY EMPIRE TECHNOLOGY DEVELOPMENT, LLC (US) 2013-03-28 WO disclosed
US-20130078499-A1 RECHARGEABLE ORGANOSODIUM POLYMER BATTERY EMPIRE TECHNOLOGY DEVELOPMENT, LLC (US) 2013-03-28 US disclosed