SCHEMBL30874938

SCHEMBL30874938

Cc1nc2ccccc2n1CC(=O)N1CCCC1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALPL P05186 2/20 0.45
▸ ALPG P10696 2/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ ALPP P05187 1/20 0.45
▸ PLAA Q9Y263 1/20 0.45
▸ DPP4 P27487 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ APAF1 O14727 1/20 0.44

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
SCHEMBL30341408 0.77 PARG (0.54) TP53LMNATSHRHTTDPP4
SCHEMBL5252741 0.75 LMNA (0.60) ALDH1A1LMNATSHRHTTALPL
SCHEMBL13571388 0.74 HPGD (0.46) LMNADPP4
SCHEMBL3587930 0.71 KDM4E (0.69) ALDH1A1LMNATSHRHTTALPL
SCHEMBL30874846 0.71 DPP4 (0.47) DPP4
SCHEMBL30874923 0.71 DPP4 (0.44) DPP4
SCHEMBL30874926 0.71 DPP4 (0.44) DPP4GAA
SCHEMBL30874830 0.70 DPP4 (0.43) DPP4
SCHEMBL30874870 0.70 DPP4 (0.45) DPP4
SCHEMBL474918 0.69 DPP4 (0.57) ALDH1A1DPP4

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-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
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