SCHEMBL23118774

SCHEMBL23118774

CCCCc1ccc2c(c1)c1ccc3c4cc(CCCC)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c1n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.39
▸ PSMB5 P28074 1/20 0.38
▸ ADORA3 P0DMS8 5/20 0.38
▸ EP300 Q09472 1/20 0.37
▸ KAT2A Q92830 1/20 0.37
▸ KAT2B Q92831 1/20 0.37
▸ PLA2G4A P47712 1/20 0.36
▸ TLR7 Q9NYK1 2/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ UCHL3 P15374 1/20 0.36
▸ RORA P35398 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ RORB Q92753 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL23118894 0.98 PSMB5 (0.39) HSD11B1PSMB5ADORA3EP300KAT2A
SCHEMBL23118915 0.97 PTPN1 (0.39) HSD11B1PSMB5ADORA3EP300KAT2A
SCHEMBL23118917 0.96 PTPN1 (0.41) HSD11B1PSMB5ADORA3EP300KAT2A
SCHEMBL20149401 0.96 RORA (0.41) HSD11B1PLA2G4ARORARORCRORB
SCHEMBL23118920 0.95 PTPN1 (0.39) HSD11B1PSMB5ADORA3EP300KAT2A
SCHEMBL23118893 0.95 PTPN1 (0.39) HSD11B1PSMB5ADORA3EP300KAT2A
SCHEMBL23118986 0.92 HSD11B1 (0.37) HSD11B1PSMB5ADORA3EP300KAT2A
SCHEMBL23118964 0.92 HSD11B1 (0.37) HSD11B1PSMB5ADORA3EP300KAT2A
SCHEMBL24549629 0.92 HSD11B1 (0.37) HSD11B1PSMB5ADORA3EP300KAT2A
SCHEMBL23118988 0.90 PSMB5 (0.36) HSD11B1PSMB5ADORA3EP300KAT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11189802-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-11-30 — — US disclosed
US-11171295-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-11-09 — — US disclosed
US-20210143340-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-05-13 — — US disclosed
US-20210083195-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-03-18 — — US disclosed
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