SCHEMBL29208505

SCHEMBL29208505

CC(C)(C)OC(=O)NCCCn1cc(Cn2ccc3ccc(CN)cc32)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 10/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ STING1 Q86WV6 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL25425260 0.87 EP300 (0.45) EP300HDAC8HDAC3HDAC4HDAC1
SCHEMBL29208421 0.86 ALDH1A1 (0.41) EP300ALDH1A1DYRK1AADRA2AADRB3
SCHEMBL29208507 0.85 NAMPT (0.37) HDAC8CA12CA1CA2CA9
SCHEMBL30991815 0.84 MTNR1A (0.42) HDAC8HDAC1HDAC6CA1CA2
SCHEMBL24414562 0.84 MTNR1A (0.42) HDAC8HDAC1HDAC6CA1CA2
SCHEMBL29208382 0.79 EP300 (0.43) EP300HDAC8HDAC3HDAC4HDAC1
SCHEMBL25014086 0.79 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL29208400 0.77 HDAC8 (0.47) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29208438 0.76 LOXL2 (0.38) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29208443 0.75 CA1 (0.37) 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
US-20220064696-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS PROMEGA CORPORATION (US) 2022-03-03 — — US disclosed
WO-2022047186-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS PROMEGA CORPORATION (US) 2022-03-03 — — WO disclosed
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