SCHEMBL25870970

SCHEMBL25870970

c1ccc(-c2ccc(N(c3ccc4ccc5oc6ccccc6c5c4c3)c3cccc4oc5ccccc5c34)cc2-c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CDC14B O60729 1/20 0.33
▸ CDC14A Q9UNH5 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL25873447 0.95 ABCG2 (0.38) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL26039168 0.93 PLA2G2A (0.33) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL26038782 0.93 PLA2G2A (0.34) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25870976 0.93 ABCG2 (0.34) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25871953 0.92 TDP1 (0.34) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL26056782 0.91 TDP1 (0.36) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL24888871 0.89 CYP1A1 (0.36) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25515803 0.89 ABCG2 (0.36) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL24888010 0.89 CDC14B (0.35) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25873451 0.89 ABCG2 (0.38) ABCG2CYP1A1CYP1A2FYNMAPK3

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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