SCHEMBL17136293

SCHEMBL17136293

[c]1cccc(-c2cccc3cc4ccccc4cc23)c1-c1cccc2cc3ccccc3cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 5/20 0.35
HPGD P15428 3/20 0.35
HIF1A Q16665 3/20 0.35
TSHR P16473 3/20 0.35
MAPK1 P28482 3/20 0.35
CASP1 P29466 2/20 0.35
TP53 P04637 1/20 0.35
CASP7 P55210 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CES1 P23141 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP1B1 Q16678 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERBB2 P04626 1/20 0.32

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
SCHEMBL5380024 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL669469 0.83 CYP2A6 (0.40) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL2459865 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL18258983 0.81 CYP2A6 (0.39) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL2453412 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL29354014 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL2871930 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL29131341 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL537002 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL29538643 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHSD17B10HPGD

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-9343682-B2 Organic electroluminescence device and organic light emitting medium IDEMITSU KOSAN CO., LTD. (JP) 2016-05-17 US claimed
US-20150287929-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC LIGHT EMITTING MEDIUM IDEMITSU KOSAN CO., LTD. (JP) 2015-10-08 US claimed