SCHEMBL29208368

SCHEMBL29208368

CC(C)(C)OC(=O)NCCCn1cnc(Cn2ccc3ccc(C#N)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.42
▸ CDK8 P49336 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CA12 O43570 4/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35

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
SCHEMBL29208415 0.89 CCNC (0.36) CCNCCDK8KDM4EALDH1A1TSHR
SCHEMBL25424956 0.87 ALDH1A1 (0.46) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208507 0.86 NAMPT (0.37) CPB2DYRK1ACA12CA1CA2
SCHEMBL29208421 0.85 ALDH1A1 (0.41) CCNCCDK8KDM4EALDH1A1TSHR
SCHEMBL24414605 0.85 KDM4E (0.47) CCNCCDK8KDM4EALDH1A1TSHR
SCHEMBL25424064 0.82 ALDH1A1 (0.40) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL25423499 0.80 ALDH1A1 (0.42) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208378 0.79 ALDH1A1 (0.39) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL25424948 0.77 ALDH1A1 (0.40) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208377 0.76 CCNC (0.40) CCNCCDK8KDM4EALDH1A1TSHR

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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