SCHEMBL25879090

SCHEMBL25879090

c1ccc(-c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccc5sc6ccccc6c5c4c3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ F9 P00740 1/20 0.37
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ CDK4 P11802 4/20 0.34
▸ CCND1 P24385 4/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ S1PR4 O95977 3/20 0.32
▸ S1PR5 Q9H228 3/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ SLC9A1 P19634 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
SCHEMBL25878934 0.97 MCL1 (0.38) CA12CA1CA2CA9F9
SCHEMBL25879089 0.97 F9 (0.39) CA12CA1CA2CA9F9
SCHEMBL25878938 0.96 MCL1 (0.37) CA12CA1CA2CA9F9
SCHEMBL25878768 0.96 MCL1 (0.37) CA12CA1CA2CA9F9
SCHEMBL25881723 0.94 CA12 (0.39) CA12CA1CA2CA9F9
SCHEMBL25878772 0.94 CA12 (0.38) CA12CA1CA2CA9F9
SCHEMBL25879092 0.94 CA12 (0.41) CA12CA1CA2CA9F9
SCHEMBL25879721 0.94 F9 (0.38) CA12CA1CA2CA9F9
SCHEMBL25881279 0.94 F9 (0.38) CA12CA1CA2CA9F9
SCHEMBL25879012 0.93 CDK4 (0.37) F9MCL1CDK4CCND1CCNB2

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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