SCHEMBL24949754

SCHEMBL24949754

c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5-n5c6ccccc6c6c7ccccc7ccc65)cc4)c4cccc(-c5ccc6ccccc6c5)c4)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL24948789 0.97 CA12 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL24949753 0.93 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL24948837 0.92 MAPK14 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL24949199 0.91 AKT1 (0.32) CA12CA1CA2CA9HSD17B1
SCHEMBL24949200 0.90 AKT1 (0.32) CA12CA1CA2CA9
SCHEMBL24948678 0.89 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL24949742 0.89 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL24948583 0.89 HSD17B1 (0.31) HSD17B1HSD17B2
SCHEMBL24948013 0.89 KDM4E (0.33) HSD17B1HSD17B2
SCHEMBL24948019 0.89 KDM4E (0.33) HSD17B1HSD17B2

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