SCHEMBL24948472

SCHEMBL24948472

c1ccc(-c2cc(-c3cccc(N(c4ccc(-c5ccccc5-n5c6ccccc6c6ccc7ccccc7c65)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c3ccccc3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
HTR6 P50406 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 1/20 0.30
NTSR1 P30989 2/20 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
SCHEMBL24947525 0.95 CA12 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24949896 0.95 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24949171 0.93 CA12 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24948165 0.93 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24948026 0.93 CA12 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL24948475 0.93 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24948197 0.93 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24949195 0.93 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24947498 0.93 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24949170 0.92 TDP1 (0.32)

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