SCHEMBL2379478

SCHEMBL2379478

c1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
CYP2A6 P11509 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.45
CASP1 P29466 1/20 0.45
HIF1A Q16665 1/20 0.45
DHFR P00374 1/20 0.43
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALPL P05186 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42

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
SCHEMBL260916 1.00 DNMT1 (0.47) DNMT1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL29416707 1.00 DNMT1 (0.47) DNMT1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL22419027 0.98 DHFR (0.46) DNMT1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL3646779 0.90 DNMT1 (0.52) DNMT1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL30768160 0.90 DHFR (0.47) DNMT1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL702934 0.90 ALDH1A1 (0.50) DNMT1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL29407412 0.90 ALDH1A1 (0.50) DNMT1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL28517525 0.89 DNMT1 (0.40) DNMT1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL28115871 0.89 ALDH1A1 (0.56) DNMT1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL25302086 0.87 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017252-B2 Light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-09-13 US disclosed