SCHEMBL25868995

SCHEMBL25868995

c1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(ccc4oc5ccccc5c43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.34
▸ CYP1A1 P04798 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 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
▸ PLA2G2A P14555 1/20 0.33
▸ PLA2G4A P47712 1/20 0.33
▸ ANO1 Q5XXA6 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ GPR84 Q9NQS5 2/20 0.32
▸ CASP3 P42574 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ HCRTR1 O43613 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
SCHEMBL25869085 1.00 ABCG2 (0.34) ABCG2CYP1A1PGRTDP1L3MBTL1
SCHEMBL25869001 0.98 PGR (0.35) ABCG2CYP1A1PGRTDP1L3MBTL1
SCHEMBL26039048 0.97 PGR (0.34) ABCG2CYP1A1PGRTDP1L3MBTL1
SCHEMBL25868903 0.97 ABCG2 (0.34) ABCG2CYP1A1PGRTDP1L3MBTL1
SCHEMBL25869088 0.96 TDP1 (0.36) ABCG2CYP1A1PGRTDP1L3MBTL1
SCHEMBL25868908 0.96 PGR (0.35) ABCG2CYP1A1PGRTDP1L3MBTL1
SCHEMBL24655761 0.95 TDP1 (0.36) ABCG2CYP1A1PGRTDP1L3MBTL1
SCHEMBL25517419 0.95 PGR (0.37) ABCG2CYP1A1PGRTDP1L3MBTL1
SCHEMBL25869003 0.95 PGR (0.37) ABCG2CYP1A1PGRTDP1L3MBTL1
SCHEMBL25869002 0.95 TDP1 (0.35) ABCG2CYP1A1PGRTDP1L3MBTL1

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
Send feedback