SCHEMBL29731534

SCHEMBL29731534

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 13/20 0.57
▸ MCHR1 Q99705 1/20 0.53
▸ PKM P14618 1/20 0.45
▸ PKLR P30613 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PDE1A P54750 2/20 0.44
▸ PDE1B Q01064 2/20 0.44
▸ PDE1C Q14123 2/20 0.44
▸ UCHL1 P09936 1/20 0.43
▸ 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
SCHEMBL29731573 0.87 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL24640501 0.87 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL29102671 0.87 NPBWR1 (0.68) NPBWR1MCHR1PKMALDH1A1HTT
SCHEMBL27435433 0.84 NPBWR1 (0.54) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL29731363 0.82 NPBWR1 (0.52) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL14844510 0.81 NPBWR1 (0.67) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL26915060 0.80 NPBWR1 (0.61) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL21521858 0.80 NPBWR1 (0.61) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL4681881 0.80 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL24640480 0.79 NPBWR1 (0.48) 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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