SCHEMBL24657201

SCHEMBL24657201

c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccc6ccc7ccccc7c6c5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MCL1 Q07820 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
CDK4 P11802 7/20 0.38
CCND1 P24385 7/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
TNF P01375 1/20 0.35
ALK Q9UM73 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PPARG P37231 4/20 0.35

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
SCHEMBL24655319 0.97 MCL1 (0.42) CA12CA1CA2CA9MCL1
SCHEMBL24655447 0.96 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL24655317 0.96 CA12 (0.44) CA12CA1CA2CA9MCL1
SCHEMBL24655289 0.95 CA12 (0.42) CA12CA1CA2CA9MCL1
SCHEMBL24655454 0.95 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL24656766 0.94 CA12 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL24657608 0.93 CDK4 (0.42) CA12CA1CA2CA9CDK4
SCHEMBL24655326 0.93 CDK4 (0.42) CA12CA1CA2CA9CDK4
SCHEMBL24657522 0.93 CDK4 (0.42) CA12CA1CA2CA9CDK4
SCHEMBL24657134 0.93 CDK4 (0.42) CA12CA1CA2CA9CDK4

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
EP-4243100-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
WO-2022177374-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-08-25 WO disclosed