SCHEMBL24655439

SCHEMBL24655439

C1=Cc2c(ccc3ccc4ccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc(-c7ccccc7)c6)cc5)cc4c23)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ALK Q9UM73 1/20 0.33
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
CDK4 P11802 3/20 0.31
CCND1 P24385 3/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
SLC6A9 P48067 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
SCHEMBL26149360 0.85 ALK (0.32) ALK
SCHEMBL24657201 0.82 CA12 (0.44) CA12CA1CA2CA9ALK
SCHEMBL14145175 0.81 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL26066321 0.80 CA12 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL21727002 0.80 SLC6A9 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL25896724 0.80 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24655319 0.80 MCL1 (0.42) CA12CA1CA2CA9ALK
SCHEMBL21123728 0.80 CA12 (0.48) CA12CA1CA2CA9MCL1
SCHEMBL21124070 0.80 CA12 (0.48) CA12CA1CA2CA9MCL1
SCHEMBL24655317 0.79 CA12 (0.44) CA12CA1CA2CA9ALK

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-2022177374-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-08-25 WO disclosed