SCHEMBL27322738

SCHEMBL27322738

c1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc3oc4ccccc4c3c2)c(-c2ccc3oc4cc5ccccc5cc4c3c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ AHR P35869 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ENPP3 O14638 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
SCHEMBL27322742 0.97 MCL1 (0.33) MCL1ACMSDALOX5CA12CA1
SCHEMBL27322745 0.97 CA12 (0.36) MCL1ACMSDALOX5CA12CA1
SCHEMBL24962723 0.96 MCL1 (0.36) MCL1ACMSDALOX5CA12CA1
SCHEMBL24963778 0.94 MCL1 (0.37) MCL1ACMSDALOX5CA12CA1
SCHEMBL27308041 0.94 MCL1 (0.34) MCL1ACMSDALOX5CA12CA1
SCHEMBL23233075 0.94 MCL1 (0.35) MCL1ACMSDALOX5CA12CA1
SCHEMBL24965578 0.94 MCL1 (0.35) MCL1ACMSDALOX5CA12CA1
SCHEMBL24962721 0.93 ALOX5 (0.38) MCL1ACMSDALOX5CA12CA1
SCHEMBL23233480 0.93 ALOX5 (0.38) MCL1ACMSDALOX5CA12CA1
SCHEMBL23231886 0.93 MCL1 (0.34) MCL1ACMSDALOX5CA12CA1

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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