SCHEMBL23118915

SCHEMBL23118915

CCCCc1ccc2c(c1)c1ccc3c4cc(CCCC)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)n4)c3c1n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.39
▸ HSD11B1 P28845 2/20 0.37
▸ PSMB5 P28074 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ EP300 Q09472 1/20 0.35
▸ KAT2A Q92830 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ EIF4A1 P60842 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ PLA2G4A P47712 1/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ UCHL3 P15374 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ SLC5A1 P13866 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
SCHEMBL23118917 0.99 PTPN1 (0.41) PTPN1HSD11B1PSMB5ADORA3EP300
SCHEMBL23118920 0.98 PTPN1 (0.39) PTPN1HSD11B1PSMB5ADORA3EP300
SCHEMBL23118893 0.98 PTPN1 (0.39) PTPN1HSD11B1PSMB5ADORA3EP300
SCHEMBL23118774 0.97 HSD11B1 (0.39) PTPN1HSD11B1PSMB5ADORA3EP300
SCHEMBL23118894 0.95 PSMB5 (0.39) HSD11B1PSMB5ADORA3EP300KAT2A
SCHEMBL20149401 0.93 RORA (0.41) HSD11B1PLA2G4ARORARORCRORB
SCHEMBL23118651 0.93 PTPN1 (0.35) PTPN1HSD11B1PSMB5ADORA3EP300
SCHEMBL24549533 0.93 PTPN1 (0.35) PTPN1HSD11B1PSMB5ADORA3EP300
SCHEMBL23118564 0.93 PTPN1 (0.37) PTPN1HSD11B1PSMB5ADORA3EP300
SCHEMBL24549537 0.92 PTPN1 (0.39) PTPN1HSD11B1PSMB5ADORA3EP300

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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