SCHEMBL23057121

SCHEMBL23057121

c1ccc(-c2c3ccccc3c(-c3cccc4oc5ccccc5c34)c3cc(-c4cccc5ccccc45)ccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALOX5 P09917 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ATM Q13315 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36

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
SCHEMBL25624612 1.00 MCL1 (0.39) MCL1ACMSDTDP1L3MBTL1ALOX5
SCHEMBL24173686 0.95 CA12 (0.42) MCL1ACMSDTDP1L3MBTL1ALDH1A1
SCHEMBL22936534 0.95 TDP1 (0.38) MCL1ACMSDTDP1L3MBTL1ALOX5
SCHEMBL25624630 0.95 MCL1 (0.39) MCL1ACMSDTDP1L3MBTL1ALOX5
SCHEMBL23955082 0.95 TDP1 (0.38) MCL1ACMSDTDP1L3MBTL1ALOX5
SCHEMBL25624594 0.94 CA12 (0.39) MCL1ACMSDTDP1L3MBTL1ALDH1A1
SCHEMBL25624653 0.94 MCL1 (0.39) MCL1ACMSDTDP1L3MBTL1ALOX5
SCHEMBL25624631 0.94 MCL1 (0.39) MCL1ACMSDTDP1L3MBTL1ALOX5
SCHEMBL24332753 0.94 MCL1 (0.40) MCL1ACMSDTDP1L3MBTL1ALOX5
SCHEMBL24563710 0.94 MCL1 (0.40) MCL1ACMSDTDP1L3MBTL1ALOX5

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-20210066619-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-03-04 — — US disclosed
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