SCHEMBL25529648

SCHEMBL25529648

C1=CC(c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)cc2)=CCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
PLA2G10 O15496 1/20 0.32
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL19533738 0.88 PLA2G2A (0.40) PLA2G2APLA2G4APLA2G10KDM4EALDH1A1
SCHEMBL20844276 0.88 PLA2G2A (0.33) PLA2G2APLA2G4AKDM4EALDH1A1MAPT
SCHEMBL22293443 0.87 PLA2G2A (0.33) PLA2G2APLA2G4AKDM4EALDH1A1MAPT
SCHEMBL18371338 0.87 CA12 (0.44) CA12CA1CA2CA9PLA2G2A
SCHEMBL19103110 0.87 CA12 (0.44) CA12CA1CA2CA9PLA2G2A
SCHEMBL25751222 0.86 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL25751174 0.86 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL25751218 0.86 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL19103128 0.85 CA12 (0.43) CA12CA1CA2CA9PLA2G2A
SCHEMBL19142078 0.85 PLA2G2A (0.34) PLA2G2APLA2G4APLA2G10

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-3246963-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-05-31 EP disclosed