SCHEMBL26054824

SCHEMBL26054824

c1ccc(-c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5c6ccccc6ccc45)c3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MPI P34949 1/20 0.38
KMT2A Q03164 1/20 0.38
HPRT1 P00492 1/20 0.37
TNF P01375 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPARG P37231 5/20 0.36

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
SCHEMBL26063437 0.99 CA12 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL26062301 0.97 CA12 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL26054947 0.97 CA12 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL21124580 0.96 CA12 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL21124320 0.96 CA12 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL26055009 0.96 MCL1 (0.44) CA12CA1CA2CA9MCL1
SCHEMBL26055663 0.96 CA12 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL26055327 0.96 CA12 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL26063299 0.96 CA12 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL26055343 0.96 CA12 (0.45) CA12CA1CA2CA9MCL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4235829-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-08-30 EP disclosed