SCHEMBL24747650

SCHEMBL24747650

c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ ALOX5 P09917 1/20 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
▸ KDM4E B2RXH2 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ HPGD P15428 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ TSHR P16473 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ AHR P35869 2/20 0.33

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
SCHEMBL24747649 0.97 MCL1 (0.39) MCL1ACMSDALOX5CA12CA1
SCHEMBL24748820 0.96 MCL1 (0.38) MCL1ACMSDALOX5CA12CA1
SCHEMBL24748864 0.96 MCL1 (0.38) MCL1ACMSDALOX5CA12CA1
SCHEMBL24748776 0.95 CA12 (0.37) MCL1ACMSDALOX5CA12CA1
SCHEMBL24749102 0.95 CA12 (0.37) MCL1ACMSDALOX5CA12CA1
SCHEMBL24748857 0.94 MCL1 (0.38) MCL1ACMSDALOX5CA12CA1
SCHEMBL24748870 0.94 MCL1 (0.38) MCL1ACMSDALOX5CA12CA1
SCHEMBL24748863 0.94 MCL1 (0.38) MCL1ACMSDALOX5CA12CA1
SCHEMBL24747727 0.94 MCL1 (0.38) MCL1ACMSDALOX5CA12CA1
SCHEMBL24747709 0.94 MCL1 (0.38) 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-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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