SCHEMBL29208507

SCHEMBL29208507

CC(C)(C)OC(=O)NCCCn1cnc(Cn2ccc3ccc(CN)cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.37
▸ CA1 P00915 6/20 0.36
▸ CA2 P00918 6/20 0.36
▸ CA12 O43570 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ STING1 Q86WV6 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ CPB2 Q96IY4 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
SCHEMBL29208443 0.89 CA1 (0.37) CA1CA2CYP3A4
SCHEMBL25426067 0.87 CPB2 (0.36) NAMPTHDAC8CPB2
SCHEMBL29208368 0.86 CCNC (0.42) NAMPTCA1CA2CA12CA9
SCHEMBL29208505 0.85 EP300 (0.42) CA1CA2CA12CA9DYRK1A
SCHEMBL30991815 0.84 MTNR1A (0.42) CA1CA2DRD2HDAC8
SCHEMBL24414562 0.84 MTNR1A (0.42) CA1CA2DRD2HDAC8
SCHEMBL29208495 0.79 ADA (0.35) HDAC8CPB2
SCHEMBL21071078 0.79 CA1 (0.46) CA1CA2CA12CA9DYRK1A
SCHEMBL29208400 0.77 HDAC8 (0.47) NAMPTCA1CA2HDAC8BRD4
SCHEMBL25426273 0.77 MTNR1A (0.34) HDAC8CPB2

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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