SCHEMBL25873303

SCHEMBL25873303

c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3oc4ccc5ccccc5c4c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.42
▸ ABCG2 Q9UNQ0 4/20 0.36
▸ AHR P35869 2/20 0.36
▸ PAX8 Q06710 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAPK3 P27361 1/20 0.36
▸ GGPS1 O95749 1/20 0.35
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ CDC14B O60729 1/20 0.32
▸ CDC14A Q9UNH5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 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
SCHEMBL25873306 0.95 ALOX5 (0.41) ALOX5ABCG2AHRPAX8CYP1A1
SCHEMBL25870736 0.95 ALOX5 (0.43) ALOX5ABCG2AHRPAX8CYP1A1
SCHEMBL25871661 0.92 ALOX5 (0.42) ALOX5ABCG2AHRPAX8CYP1A1
SCHEMBL15851905 0.92 ABCG2 (0.37) ALOX5ABCG2AHRPAX8CYP1A1
SCHEMBL27297549 0.91 ALOX5 (0.42) ALOX5ABCG2AHRPAX8CYP1A1
SCHEMBL24887313 0.91 ALOX5 (0.43) ALOX5ABCG2CYP1A1CYP1A2GGPS1
SCHEMBL25516245 0.90 ABCG2 (0.40) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL25870127 0.90 ABCG2 (0.40) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL24657056 0.90 ALOX5 (0.42) ALOX5ABCG2AHRPAX8CYP1A1
SCHEMBL26359633 0.90 ALOX5 (0.42) ALOX5ABCG2AHRPAX8CYP1A1

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
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