SCHEMBL29048255

SCHEMBL29048255

Cc1cncc([C@@H]2CCON2C(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.35
WDR77 Q9BQA1 6/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL29048256 1.00 PRMT5 (0.35) PRMT5WDR77NPSR1MAPTATM
SCHEMBL30547528 1.00 PRMT5 (0.35) PRMT5WDR77NPSR1MAPTATM
SCHEMBL30339051 0.91 NPSR1 (0.32) PRMT5WDR77NPSR1MAPTLMNA
SCHEMBL29966722 0.87 RIPK1 (0.38) NPSR1MAPTGPR119RECQLLMNA
SCHEMBL31205609 0.87 NTRK1 (0.42)
SCHEMBL30547551 0.87 USP30 (0.40) ATMGPR119RECQL
SCHEMBL30339235 0.87 NTRK1 (0.42)
SCHEMBL22210859 0.87 RIPK1 (0.38) NPSR1MAPTGPR119RECQLLMNA
SCHEMBL22608904 0.87 NTRK1 (0.42)
SCHEMBL30547522 0.87 USP30 (0.40) ATMGPR119RECQL

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-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed