SCHEMBL6323048

SCHEMBL6323048

c1ccc(-c2nnoc2-c2cccc3cc4ccccc4cc23)c(-c2nnoc2-c2cccc3cc4ccccc4cc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ HIF1A Q16665 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TP53 P04637 2/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ MAPT P10636 2/20 0.31

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
SCHEMBL6324434 0.92 CES1 (0.33) ESR1ESR2ALDH1A1KDM4EGAA
SCHEMBL2883906 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8754426 0.78 NPC1 (0.31) ALDH1A1HPGDL3MBTL1TP53MAOB
SCHEMBL29354014 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL2871930 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL31040367 0.71 IDO1 (0.37) ESR1ESR2ALDH1A1KDM4EGAA
SCHEMBL537002 0.70 ALDH1A1 (0.52) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL27506937 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL29538643 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL4722219 0.69 ALDH1A1 (0.34) ESR1ESR2ALDH1A1KDM4EGAA

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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