Sugi Predict

Sugi Predict / Compounds / SCHEMBL26570201

SCHEMBL26570201

SCHEMBL26570201

c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc(-c3cccc4oc5ccccc5c34)c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ BACE1 P56817 1/20 0.30
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ ALOX5 P09917 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
SCHEMBL24747703 0.96 MCL1 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL26588176 0.95 MCL1 (0.35) MCL1ACMSDCA12CA1CA2
SCHEMBL26570206 0.93 HCRTR1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL26569294 0.93 ALOX5 (0.33) MCL1ACMSDCA12CA1CA2
SCHEMBL26588029 0.93 MCL1 (0.35) MCL1ACMSDCA12CA1CA2
SCHEMBL26588027 0.93 MCL1 (0.33) MCL1ACMSDBACE1ALOX5
SCHEMBL26569450 0.93 ALDH1A1 (0.33) CA12CA1CA2CA9BACE1
SCHEMBL23233080 0.93 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24965592 0.92 CA12 (0.35) MCL1ACMSDCA12CA1CA2
SCHEMBL26588621 0.92 MCL1 (0.36) MCL1ACMSDCA12CA1CA2

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-2023182323-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-09-28 — — WO disclosed