SCHEMBL25875690

SCHEMBL25875690

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5oc6ccccc6c5c4c3)cc21

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
MAPK3 P27361 1/20 0.31
AHR P35869 1/20 0.31
PAX8 Q06710 1/20 0.31
PGR P06401 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
TNKS O95271 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
SCHEMBL25889266 0.97 PLA2G2A (0.34) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL23512134 0.96 PGR (0.32) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25889267 0.95 PLA2G2A (0.32) PGRPLA2G2APLA2G4A
SCHEMBL25876008 0.95 CASP3 (0.33) ABCG2PGRPLA2G2APLA2G4ATNKS
SCHEMBL25875691 0.95 PDK2 (0.33)
SCHEMBL26037803 0.94 PLA2G2A (0.33) PGRPLA2G2APLA2G4A
SCHEMBL25875692 0.94 PDK2 (0.30) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25875885 0.94 HSP90AA1 (0.33) PGR
SCHEMBL25516370 0.94 ABCG2 (0.31) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25875801 0.94 ALK (0.32) AHR

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