SCHEMBL25869555

SCHEMBL25869555

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4oc5ccccc5c4c4ccccc34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.36
▸ PLA2G2A P14555 4/20 0.35
▸ PLA2G4A P47712 4/20 0.35
▸ ESR1 P03372 3/20 0.35
▸ ESR2 Q92731 3/20 0.35
▸ ANO1 Q5XXA6 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP1A1 P04798 2/20 0.33
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL25869184 0.98 ESR1 (0.35) PGRPLA2G2APLA2G4AESR1ESR2
SCHEMBL26369895 0.95 ABCG2 (0.33) PGRPLA2G2APLA2G4AANO1CYP1A2
SCHEMBL25517131 0.94 ESR1 (0.35) PGRPLA2G2APLA2G4AESR1ESR2
SCHEMBL25869328 0.91 PLA2G2A (0.38) PLA2G2APLA2G4AABCG2L3MBTL1AHR
SCHEMBL24657007 0.91 TDP1 (0.39) PGRPLA2G2APLA2G4AESR1ESR2
SCHEMBL25869752 0.91 PLA2G2A (0.32) PLA2G2APLA2G4AANO1CYP1A2CYP1A1
SCHEMBL23821475 0.91 ESR1 (0.33) PLA2G2APLA2G4AESR1ESR2CYP1A2
SCHEMBL25869742 0.90 PLA2G2A (0.37) PLA2G2APLA2G4AABCG2L3MBTL1AHR
SCHEMBL25869560 0.89 PGR (0.37) PGRPLA2G2APLA2G4AESR1ESR2
SCHEMBL25869351 0.89 PLA2G2A (0.41) PGRPLA2G2APLA2G4AABCG2TDP1

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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