SCHEMBL26490397

SCHEMBL26490397

c1ccc2cc3c(cc2c1)oc1ccc(N(c2ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc2)c2cccc4ccccc24)cc13

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ PPARG P37231 7/20 0.33
▸ PPARA Q07869 7/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HDAC8 Q9BY41 1/20 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
SCHEMBL26490365 0.99 MCL1 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL26490669 0.92 MCL1 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL26490594 0.92 KDM4E (0.35) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL26490414 0.92 MCL1 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL27322738 0.91 MCL1 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL26490381 0.91 MCL1 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL26154236 0.91 CA12 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL27308041 0.89 MCL1 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL26490371 0.89 KDM4E (0.34) CA12CA1CA9ALDH1A1HSD17B10
SCHEMBL26490591 0.89 MCL1 (0.39) CA12CA1CA2CA9MCL1

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
US-20230329025-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 — — US disclosed
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