SCHEMBL29208400

SCHEMBL29208400

CC(C)(C)OC(=O)NCc1ccc(Cn2ccc3ccc(CN)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ BRD9 Q9H8M2 1/20 0.42
▸ BAZ2B Q9UIF8 1/20 0.42
▸ BAZ2A Q9UIF9 1/20 0.42

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
SCHEMBL29208492 0.92 BRD9 (0.44) HDAC8HDAC6HDAC10HDAC1HDAC11
SCHEMBL29588065 0.92 BRD9 (0.44) HDAC8HDAC6HDAC10HDAC1HDAC11
SCHEMBL29208475 0.84 ALDH1A1 (0.56) HDAC8HDAC6HDAC10HDAC1HDAC11
SCHEMBL25425543 0.83 TSHR (0.49) HDAC8HDAC6HDAC10HDAC1HDAC11
SCHEMBL24414562 0.83 MTNR1A (0.42) HDAC8HDAC6HDAC1CA1CA2
SCHEMBL30991815 0.83 MTNR1A (0.42) HDAC8HDAC6HDAC1CA1CA2
SCHEMBL24414622 0.82 BRD9 (0.46) HDAC8HDAC6HDAC10HDAC1BRD9
SCHEMBL99337 0.78 TPSAB1 (0.56) HDAC1PRSS1NAMPTGAAL3MBTL1
SCHEMBL29208505 0.77 EP300 (0.42) HDAC8HDAC6HDAC10HDAC1HDAC11
SCHEMBL29208507 0.77 NAMPT (0.37) HDAC8NAMPTCA1CA2BRD4

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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