SCHEMBL25875461

SCHEMBL25875461

CC1(C)c2ccccc2-c2cc(N(c3ccc4ccc5oc6ccccc6c5c4c3)c3ccccc3-c3ccccc3)ccc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 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

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
SCHEMBL23512101 0.96
SCHEMBL25875572 0.94 PLA2G2A (0.32)
SCHEMBL25875693 0.94 PGR (0.31) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25876397 0.93 CYP1A1 (0.30) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25875465 0.91 ABCG2 (0.30) ABCG2
SCHEMBL25516370 0.91 ABCG2 (0.31) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25875566 0.91 TDP1 (0.32) AHR
SCHEMBL25875467 0.90 MAOA (0.33)
SCHEMBL25875459 0.90 ALK (0.31)
SCHEMBL25876476 0.90 PGR (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