SCHEMBL31207264

SCHEMBL31207264

COC(=O)C(C)c1cc(OC)ncc1C#N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.39
NR3C1 P04150 2/20 0.37
LRRK2 Q5S007 3/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
EGFR P00533 2/20 0.34
ERBB2 P04626 2/20 0.34
ALDH1A1 P00352 2/20 0.34
IDH1 O75874 2/20 0.34
KDM4E B2RXH2 1/20 0.33
OXTR P30559 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
SCHEMBL31099027 0.87 NNMT (0.37) NNMTNR3C1LRRK2GAALMNA
SCHEMBL25314821 0.87 NNMT (0.37) NNMTNR3C1LRRK2GAALMNA
SCHEMBL31421693 0.78 NNMT (0.42) NNMTSMN1; SMN2KMT2AMEN1PABPC1
SCHEMBL24940727 0.78 MC4R (0.42) NNMTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL24853327 0.78 NNMT (0.42) NNMTLMNAKMT2AMEN1PABPC1
SCHEMBL24094501 0.78 NNMT (0.42) NNMTLMNAKMT2AMEN1PABPC1
SCHEMBL24853342 0.78 NNMT (0.42) NNMTSMN1; SMN2KMT2AMEN1PABPC1
SCHEMBL24853326 0.77 NNMT (0.41) NNMTLMNAKMT2AMEN1PABPC1
SCHEMBL24094500 0.76 NNMT (0.40) NNMTLMNAKMT2AMEN1PABPC1
SCHEMBL31207254 0.75 ALDH1A1 (0.39) GAASMN1; SMN2LMNAKMT2AMEN1

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-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed