SCHEMBL25870976

SCHEMBL25870976

c1ccc(-c2ccccc2-c2ccc(N(c3ccc4ccc5oc6ccccc6c5c4c3)c3cccc4oc5ccccc5c34)cc2)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
▸ CDK4 P11802 3/20 0.33
▸ CCND1 P24385 3/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ PLA2G2A P14555 2/20 0.33
▸ PLA2G4A P47712 2/20 0.33
▸ KDM4E B2RXH2 2/20 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
SCHEMBL25873451 0.95 ABCG2 (0.38) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25515803 0.94 ABCG2 (0.36) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25870444 0.93 TDP1 (0.35) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25870970 0.93 ABCG2 (0.34) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25871956 0.92 CDK4 (0.34) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25516247 0.92 ABCG2 (0.35) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25868672 0.92 ABCG2 (0.35) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25868459 0.92 ABCG2 (0.35) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL26056924 0.91 TDP1 (0.36) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL25868661 0.91 ABCG2 (0.36) 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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