SCHEMBL25869436

SCHEMBL25869436

c1ccc(-c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4ccccc4c4c3oc3ccccc34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

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 0.33
ACMSD Q8TDX5 1/20 0.33
ALOX5 P09917 1/20 0.33
GPR84 Q9NQS5 2/20 0.33
SLC6A9 P48067 1/20 0.32
CDC14B O60729 1/20 0.32
CDC14A Q9UNH5 1/20 0.32
CYP1A1 P04798 2/20 0.32
CYP1A2 P05177 2/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
FYN P06241 1/20 0.32
MAPK3 P27361 1/20 0.32
AHR P35869 1/20 0.32
PAX8 Q06710 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL19198001 0.96 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL26490562 0.96 ALOX5 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL19196292 0.95 ALOX5 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL19196955 0.94 GPR84 (0.36) ALOX5GPR84CDC14BCDC14APLA2G2A
SCHEMBL19197379 0.94 PLA2G2A (0.35) CA12CA1CA2CA9ALOX5
SCHEMBL19197335 0.94 PLA2G2A (0.35) CA12CA1CA2CA9ALOX5
SCHEMBL19197854 0.93 ALOX5 (0.42) CA12CA1CA2CA9ALOX5
SCHEMBL26556935 0.93 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL19197998 0.92 PLA2G2A (0.37) CA12CA1CA2CA9ALOX5
SCHEMBL19197099 0.92 PLA2G2A (0.36) CA12CA1CA2CA9ALOX5

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed