SCHEMBL27311327

SCHEMBL27311327

c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)c(-c2cccc3oc4cc5ccccc5cc4c23)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 1/20 0.35
▸ AHR P35869 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL24964292 0.94 AHR (0.37) DUSP3AHRMAPTKMT2AALDH1A1
SCHEMBL24472503 0.92 AHR (0.41) DUSP3AHRMAPTKMT2AALDH1A1
SCHEMBL24964361 0.89 AHR (0.37) DUSP3AHRMAPTKMT2AALDH1A1
SCHEMBL26243661 0.89 DUSP3 (0.34) DUSP3AHRMAPTKMT2AALDH1A1
SCHEMBL27321530 0.89 ALOX5 (0.41) DUSP3AHRMAPTKMT2AALDH1A1
SCHEMBL24963084 0.88 AHR (0.36) DUSP3AHRMAPTKMT2AALDH1A1
SCHEMBL27311328 0.88 AHR (0.33) DUSP3AHRMAPTKMT2AALDH1A1
SCHEMBL27299535 0.87 CYP1A1 (0.32) AHRMAPTALDH1A1HPGDKDM4E
SCHEMBL27311906 0.87 ALOX5 (0.42) —
SCHEMBL24965047 0.87 HPGD (0.37) DUSP3AHRMAPTKMT2AALDH1A1

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
WO-2023199832-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-10-19 — — WO disclosed
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