SCHEMBL23799145

SCHEMBL23799145

C/C=C\C[C@@H](C(C)O)N(C)C(=O)c1ccnn1Cc1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 9/20 0.39
MCHR1 Q99705 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CACNA1H O95180 1/20 0.36
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
UCHL1 P09936 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1048024 0.76 NPBWR1 (0.48) NPBWR1MCHR1HSP90AA1UCHL1L3MBTL1
SCHEMBL2456576 0.71 NPBWR1 (0.53) NPBWR1MCHR1UCHL1
SCHEMBL29483303 0.70 NPBWR1 (0.52) NPBWR1MCHR1UCHL1L3MBTL1
SCHEMBL6603633 0.70 NPBWR1 (0.52) NPBWR1MCHR1UCHL1L3MBTL1HTT
SCHEMBL4680080 0.68 NPBWR1 (0.47) NPBWR1MCHR1ERCC5FEN1UCHL1
SCHEMBL8886643 0.68 NPBWR1 (0.51) NPBWR1MCHR1ALDH1A1
SCHEMBL2050022 0.68 UCHL1 (0.57) NPBWR1MCHR1UCHL1L3MBTL1ALDH1A1
SCHEMBL3319942 0.67 NPBWR1 (0.47) NPBWR1MCHR1UCHL1CYP2C19ALDH1A1
SCHEMBL20745582 0.66 NPBWR1 (0.51) NPBWR1MCHR1UCHL1ALDH1A1
SCHEMBL3320616 0.65 NPBWR1 (0.45) NPBWR1MCHR1UCHL1CYP2C19ALDH1A1

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-2021178920-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 THERAPEUTICS, INC. (US) 2021-09-10 WO disclosed