SCHEMBL23118988

SCHEMBL23118988

CCCCc1ccc2c(c1)c1c(ccc3c4cc(CCCC)ccc4n(-c4ccccc4)c31)n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ ADORA3 P0DMS8 5/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ EP300 Q09472 1/20 0.34
▸ KAT2A Q92830 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ PLA2G4A P47712 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ UCHL3 P15374 1/20 0.33
▸ DHODH Q02127 1/20 0.32

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
SCHEMBL23118986 0.98 HSD11B1 (0.37) PSMB5HSD11B1ADORA3RORARORC
SCHEMBL23118654 0.96 PSMB5 (0.36) PSMB5HSD11B1ADORA3RORARORC
SCHEMBL23119043 0.95 PTPN1 (0.35) PSMB5HSD11B1ADORA3RORARORC
SCHEMBL23118651 0.95 PTPN1 (0.35) PSMB5HSD11B1ADORA3RORARORC
SCHEMBL24549533 0.95 PTPN1 (0.35) PSMB5HSD11B1ADORA3RORARORC
SCHEMBL23119044 0.95 PTPN1 (0.35) PSMB5HSD11B1ADORA3RORARORC
SCHEMBL23118652 0.94 PTPN1 (0.37) PSMB5HSD11B1ADORA3RORARORC
SCHEMBL23118964 0.94 HSD11B1 (0.37) PSMB5HSD11B1ADORA3RORARORC
SCHEMBL24549629 0.94 HSD11B1 (0.37) PSMB5HSD11B1ADORA3RORARORC
SCHEMBL23118894 0.92 PSMB5 (0.39) PSMB5HSD11B1ADORA3RORARORC

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

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