SCHEMBL24947100

SCHEMBL24947100

c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc(-n5c6ccccc6c6c7ccccc7ccc65)c4)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
ALK Q9UM73 1/20 0.33
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CDK4 P11802 2/20 0.30
CCND1 P24385 2/20 0.30
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL20812733 0.97 PDE10A (0.33) CA12CA1CA2CA9PDE10A
SCHEMBL24948053 0.97 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL24947032 0.95 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24972330 0.95 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24949027 0.95 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL17658779 0.95 ATM (0.35) PDE10AKDM4EATML3MBTL1CDK4
SCHEMBL20812559 0.95 ATM (0.35) PDE10AKDM4EATML3MBTL1CDK4
SCHEMBL24947101 0.94 CA12 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL24948770 0.94 MCL1 (0.33) CA12CA1CA2CA9MCL1
SCHEMBL20813043 0.94 KDM4E (0.34) PDE10AKDM4EATML3MBTL1

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