SCHEMBL6324434

SCHEMBL6324434

c1cc(-c2nnoc2-c2cccc3cc4ccccc4cc23)c(-c2nnoc2-c2cccc3cc4ccccc4cc23)c(-c2nnoc2-c2cccc3cc4ccccc4cc23)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.33
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 2/20 0.30
▸ TSHR P16473 2/20 0.30
▸ MAPK1 P28482 2/20 0.30
▸ CASP1 P29466 2/20 0.30
▸ HIF1A Q16665 2/20 0.30
▸ HSD17B10 Q99714 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CASP7 P55210 1/20 0.30

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
SCHEMBL6323048 0.92 ESR1 (0.34) CES1ESR1ESR2ALDH1A1KDM4E
SCHEMBL2883906 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL8754426 0.71 NPC1 (0.31) ALDH1A1HPGDL3MBTL1TP53
SCHEMBL2871930 0.69 ALDH1A1 (0.50) CES1ALDH1A1KDM4EGAAHPGD
SCHEMBL29354014 0.69 ALDH1A1 (0.50) CES1ALDH1A1KDM4EGAAHPGD
SCHEMBL31040367 0.68 IDO1 (0.37) CES1ESR1ESR2ALDH1A1KDM4E
SCHEMBL537002 0.67 ALDH1A1 (0.52) CES1ALDH1A1KDM4EGAAHPGD
SCHEMBL27506937 0.67 ALDH1A1 (0.48) CES1ALDH1A1KDM4EGAAHPGD
SCHEMBL29538643 0.67 ALDH1A1 (0.48) CES1ALDH1A1KDM4EGAAHPGD
SCHEMBL5713430 0.66 CES1 (0.48) CES1ESR1ESR2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921589-B2 Electroluminescent elements TORAY INDUSTRIES, INC. (JP) 2005-07-26 — — US disclosed
US-20020160227-A1 Electroluminescent elements KOHAMA AKIRA (JP) 2002-10-31 — — US disclosed
EP-1000998-B1 Electroluminescent element and devices TORAY INDUSTRIES (JP) 2002-10-09 — — EP disclosed
EP-1000998-A1 Electroluminescent element and devices TORAY INDUSTRIES, INC. (JP) 2000-05-17 — — EP disclosed
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