SCHEMBL24948478

SCHEMBL24948478

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5cc6ccccc6cc54)cc3)c3cccc(-c4ccc(-c5ccccc5)c5ccccc45)c3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.30
METAP2 P50579 1/20 0.30
TSPO P30536 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL24949164 0.97 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL20009833 0.96 TSPO (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL24947504 0.95 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL27012087 0.95 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24119056 0.93 KDM4E (0.34) ALDH1A1TSPOKDM4EATML3MBTL1
SCHEMBL20009797 0.93 KDM4E (0.34) ALDH1A1TSPOKDM4EATML3MBTL1
SCHEMBL24902346 0.92 KDM4E (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL20009773 0.92 KDM4E (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL24118959 0.92 KDM4E (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL24948202 0.92 KDM4E (0.35) 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