SCHEMBL8201873

SCHEMBL8201873

C1=CC(N(c2ccccc2)c2ccc3c(c2)-c2cccc4cccc-3c24)(N(c2ccccc2)c2ccc3c(c2)-c2cccc4cccc-3c24)CC=C1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8211336 0.82
SCHEMBL2802022 0.82 ALDH1A1 (0.30) ALDH1A1TP53
SCHEMBL8209208 0.81
SCHEMBL16331596 0.81 MCL1 (0.34) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL27803072 0.80
SCHEMBL3705870 0.80 KDM4E (0.31) ALDH1A1HSD17B10TP53
SCHEMBL5788707 0.79
SCHEMBL6711338 0.79
SCHEMBL8209188 0.79
SCHEMBL29673944 0.78 ALDH1A1 (0.32) ALDH1A1HSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10461269-B2 Crosslinkable, /polymerizable and combinations thereof charge-transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications and method of making same MOLECULAR GLASSES, INC. (US) 2019-10-29 US disclosed
EP-0977288-A2 Electron-injecting layer formed from a dopant layer for organic light-emitting structure EASTMAN KODAK COMPANY (US) 2000-02-02 EP disclosed