Sugi Predict

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SCHEMBL24948950

SCHEMBL24948950

c1ccc(-c2cccc(-n3c4ccccc4c4ccc5ccccc5c43)c2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1

nearest known ligand 0.34

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
▸ MAPK14 Q16539 1/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ EDNRB P24530 1/20 0.31
▸ EDNRA P25101 1/20 0.31

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
SCHEMBL26489168 1.00 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24948533 0.95 MCL1 (0.32) MCL1ACMSD
SCHEMBL26488779 0.94 CA12 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL26487987 0.93 MCL1 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL24948744 0.93 MCL1 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL26487885 0.93 MCL1 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL24948484 0.92 TDP1 (0.31) —
SCHEMBL24949896 0.92 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24948475 0.92 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24949195 0.92 MCL1 (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 — — WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 — — WO disclosed