SCHEMBL29208453

SCHEMBL29208453

CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)CCCCn1ccnc1Cn1ccc2ccc(CN)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 3/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL25427528 0.89 MTNR1A (0.37) MTNR1AMTNR1BMAPTHDAC8MCL1
SCHEMBL29208414 0.88 CCNC (0.38) PLK1CYP3A4MTNR1AMTNR1BKDM4E
SCHEMBL29208443 0.85 CA1 (0.37) PLK1CA1CA2DDB1CRBN
SCHEMBL29208438 0.78 LOXL2 (0.38) DDB1CRBNTLR7HDAC8
SCHEMBL24414562 0.77 MTNR1A (0.42) CA1CA2MTNR1AMTNR1BHDAC8
SCHEMBL30991815 0.77 MTNR1A (0.42) CA1CA2MTNR1AMTNR1BHDAC8
SCHEMBL25423878 0.76 KDM4E (0.41) MTNR1AMTNR1BKDM4EMAPTHDAC8
SCHEMBL29208419 0.76 KDM4E (0.38) MTNR1AMTNR1BKDM4EMAPTHDAC8
SCHEMBL29208497 0.74 SUCNR1 (0.35) CA1CA2DDB1CRBNHDAC8
SCHEMBL25426273 0.74 MTNR1A (0.34) MTNR1AMTNR1BMAPTHDAC8MCL1

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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