SCHEMBL25876397

SCHEMBL25876397

CC1(C)c2ccccc2-c2cc(N(c3ccc4c(ccc5oc6ccccc6c54)c3)c3ccccc3-c3ccccc3)ccc21

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
MAPK3 P27361 1/20 0.30
AHR P35869 1/20 0.30
PAX8 Q06710 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL25876476 0.94 PGR (0.30)
SCHEMBL25875461 0.93 ABCG2 (0.31) CYP1A1CYP1A2FYNMAPK3AHR
SCHEMBL25876401 0.92 TDP1 (0.31) TDP1L3MBTL1
SCHEMBL25516374 0.91 ABCG2 (0.31) CYP1A1CYP1A2FYNMAPK3AHR
SCHEMBL25877773 0.90
SCHEMBL25876395 0.90 TDP1 (0.32) TDP1L3MBTL1
SCHEMBL25875572 0.90 PLA2G2A (0.32)
SCHEMBL23512101 0.89
SCHEMBL25876403 0.89 TDP1 (0.34) AHRTDP1L3MBTL1
SCHEMBL25876396 0.89 CDK4 (0.30)

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