SCHEMBL29208475

SCHEMBL29208475

CC(C)(C)OC(=O)NCc1ccc(Cn2ccc3ccc(C#N)cc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ TSHR P16473 4/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ HPGD P15428 3/20 0.56
▸ GLA P06280 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ CCR9 P51686 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC9 Q9UKV0 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
SCHEMBL29208381 0.91 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29587490 0.91 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208400 0.84 HDAC8 (0.47) HDAC10HDAC6HDAC8HDAC3HDAC4
SCHEMBL25427265 0.84 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL24414605 0.81 KDM4E (0.47) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL3274015 0.80 EPHX2 (0.58) HDAC1EPHX2NAMPTCTSBCTSS
SCHEMBL29208492 0.77 BRD9 (0.44) HDAC10HDAC6HDAC8HDAC3HDAC4
SCHEMBL29588065 0.77 BRD9 (0.44) HDAC10HDAC6HDAC8HDAC3HDAC4
SCHEMBL18664430 0.76 PPARA (0.56) POLBHDAC1EPHX2NAMPTCTSS
SCHEMBL29208368 0.76 CCNC (0.42) ALDH1A1KDM4ETSHRHSD17B10HPGD

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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