SCHEMBL25880596

SCHEMBL25880596

c1ccc(-c2ccc(N(c3ccc(-c4cc5sc6ccccc6c5c5ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.38
▸ ACMSD Q8TDX5 1/20 0.38
▸ F9 P00740 1/20 0.38
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ S1PR4 O95977 3/20 0.33
▸ S1PR5 Q9H228 3/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CDK4 P11802 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ CCNB2 O95067 1/20 0.32

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
SCHEMBL25880850 0.95 F9 (0.40) MCL1ACMSDF9CA12CA1
SCHEMBL17382706 0.92 CA12 (0.41) MCL1ACMSDF9CA12CA1
SCHEMBL23225191 0.91 MCL1 (0.39) MCL1ACMSDF9CA12CA1
SCHEMBL25884630 0.91 LIMK1 (0.34) F9ALOX5CDK4CCND1SLC9A1
SCHEMBL23224776 0.91 MCL1 (0.39) MCL1ACMSDF9CA12CA1
SCHEMBL25534087 0.91 MCL1 (0.39) MCL1ACMSDF9CA12CA1
SCHEMBL25533938 0.91 MCL1 (0.39) MCL1ACMSDF9CA12CA1
SCHEMBL23224766 0.90 CA12 (0.40) MCL1ACMSDF9CA12CA1
SCHEMBL23224517 0.90 MCL1 (0.40) MCL1ACMSDF9CA12CA1
SCHEMBL24918588 0.90 MCL1 (0.40) MCL1ACMSDF9CA12CA1

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
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