SCHEMBL29208443

SCHEMBL29208443

CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)CCCCn1cnc(Cn2ccc3ccc(CN)cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ PLK1 P53350 3/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TLR7 Q9NYK1 3/20 0.33
▸ IL6 P05231 2/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ ADORA1 P30542 1/20 0.32
▸ PARP1 P09874 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
SCHEMBL25426273 0.90 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL29208507 0.89 NAMPT (0.37) CA1CA2CYP3A4
SCHEMBL29208415 0.88 CCNC (0.36) CA1CA2PLK1HRH3CYP3A4
SCHEMBL29208453 0.85 PLK1 (0.38) CA1CA2PLK1HRH3DDB1
SCHEMBL29208438 0.78 LOXL2 (0.38) DDB1CRBNTLR7IL6ADORA1
SCHEMBL25424948 0.77 ALDH1A1 (0.40) MTNR1AMTNR1B
SCHEMBL29208420 0.77 ALDH1A1 (0.37) MTNR1AMTNR1B
SCHEMBL25426067 0.76 CPB2 (0.36) MTNR1AMTNR1B
SCHEMBL29208368 0.76 CCNC (0.42) CA1CA2
SCHEMBL29208505 0.75 EP300 (0.42) CA1CA2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116391129-A Target binding assays for RAS proteins 普罗美加公司 2023-07-04 — — CN disclosed
WO-2022047186-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS PROMEGA CORPORATION (US) 2022-03-03 — — WO disclosed
US-20220064696-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS PROMEGA CORPORATION (US) 2022-03-03 — — US disclosed
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