SCHEMBL29731573

SCHEMBL29731573

COc1ccc(Cn2ncc(O)c(C(C)=O)c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 15/20 0.57
▸ MCHR1 Q99705 1/20 0.53
▸ UCHL1 P09936 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ PKLR P30613 1/20 0.45
▸ PDE1A P54750 2/20 0.44
▸ PDE1B Q01064 2/20 0.44
▸ PDE1C Q14123 2/20 0.44
▸ CMA1 P23946 1/20 0.43

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
SCHEMBL24640501 0.87 NPBWR1 (0.57) NPBWR1MCHR1UCHL1PKMPKLR
SCHEMBL29102671 0.87 NPBWR1 (0.68) NPBWR1MCHR1PKM
SCHEMBL29731534 0.87 NPBWR1 (0.57) NPBWR1MCHR1UCHL1PKMPKLR
SCHEMBL27435433 0.84 NPBWR1 (0.54) NPBWR1MCHR1UCHL1PKMPKLR
SCHEMBL25756143 0.84 NPBWR1 (0.63) NPBWR1MCHR1UCHL1PKMPKLR
SCHEMBL4681881 0.80 NPBWR1 (0.57) NPBWR1MCHR1UCHL1PKMPKLR
SCHEMBL24640499 0.79 NPBWR1 (0.48) NPBWR1MCHR1UCHL1PKMPKLR
SCHEMBL24640482 0.79 NPBWR1 (0.48) NPBWR1MCHR1UCHL1PKMPKLR
SCHEMBL24640480 0.79 NPBWR1 (0.48) NPBWR1MCHR1UCHL1PKMPKLR
SCHEMBL21520773 0.79 NPBWR1 (0.63) NPBWR1MCHR1PKMPKLRPDE1A

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
WO-2022156708-A1 PARP7 ENZYME INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-07-28 — — WO disclosed
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