SCHEMBL24749690

SCHEMBL24749690

c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2-c2ccc3c(c2)oc2ccccc23)c2cccc3oc4ccccc4c23)cc1

nearest known ligand 0.36

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
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL24748222 0.96 MCL1 (0.37) MCL1ACMSDALOX5TDP1L3MBTL1
SCHEMBL24749718 0.94 MCL1 (0.38) MCL1ACMSDALOX5TDP1L3MBTL1
SCHEMBL24749704 0.94 MCL1 (0.34) MCL1ACMSDALOX5TDP1L3MBTL1
SCHEMBL24749701 0.92 MCL1 (0.35) MCL1ACMSDALOX5TDP1L3MBTL1
SCHEMBL24748257 0.92 MCL1 (0.34) MCL1ACMSDALOX5TDP1L3MBTL1
SCHEMBL26570350 0.92 MCL1 (0.33) MCL1ACMSDALOX5TDP1L3MBTL1
SCHEMBL24749698 0.92 MCL1 (0.36) MCL1ACMSDALOX5TDP1L3MBTL1
SCHEMBL24749939 0.92 HCRTR1 (0.35) ALOX5TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL22523699 0.91 ALOX5 (0.40) ALOX5KDM4EALDH1A1MAPTHPGD
SCHEMBL24748256 0.91 ALOX5 (0.42) MCL1ACMSDALOX5TDP1L3MBTL1

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-2022259886-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-15 — — WO disclosed
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