SCHEMBL28658606

SCHEMBL28658606

CC(OC(N)=O)C(=O)N1CCc2cnccc2C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ NAMPT P43490 11/20 0.44
▸ SLC22A12 Q96S37 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NLN Q9BYT8 1/20 0.42
▸ ACE P12821 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL28658604 1.00 TDP1 (0.47) TDP1HPGDNAMPTSLC22A12MEN1
SCHEMBL28655184 0.83 TDP1 (0.63) TDP1HPGDMEN1KMT2ANLN
SCHEMBL16219054 0.83 NAMPT (0.57) HPGDNAMPTSLC22A12ACEGAA
SCHEMBL28676326 0.83 NAMPT (0.44) TDP1HPGDNAMPT
SCHEMBL30445878 0.79 HPGD (0.50) HPGDNAMPTSLC22A12MEN1KMT2A
SCHEMBL16219038 0.78 NAMPT (0.57) HPGDNAMPTSLC22A12ACEGAA
SCHEMBL18205136 0.78 NAMPT (0.47) HPGDNAMPTSLC22A12ACEGAA
SCHEMBL28673309 0.77 PRMT5 (0.43) NAMPT
SCHEMBL28673307 0.77 PRMT5 (0.43) NAMPT
SCHEMBL14970362 0.76 NOTUM (0.63) HPGDNAMPTSLC22A12MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107735088-B Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2021-11-02 — — CN disclosed
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