SCHEMBL27361357

SCHEMBL27361357

c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc2N(c2ccccc2)c2cccc(-c3ccc(-c4cccc5ccccc45)cc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

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 0.36
ACMSD Q8TDX5 1/20 0.36
SLC6A9 P48067 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
NTSR1 P30989 2/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
MAPK14 Q16539 1/20 0.30
FLT3 P36888 1/20 0.30
BMX P51813 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL27361358 0.99 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24949653 0.99 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24949276 0.99 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24949652 0.99 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL27361359 0.99 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL27351992 0.99 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL27352136 0.99 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL27361085 0.98 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL27352135 0.98 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24949290 0.98 MCL1 (0.36) 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
WO-2024014660-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-01-18 WO disclosed