SCHEMBL28913034

SCHEMBL28913034

CC(C)Sc1cccc(OC(N)=O)c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
PTGS2 P35354 2/20 0.31

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
SCHEMBL2481471 0.75 KMT2A (0.40) MEN1KMT2AIRAK4
SCHEMBL28913028 0.75 PTGDR2 (0.30)
SCHEMBL28701873 0.72 MEN1 (0.37) MEN1KMT2A
SCHEMBL31392645 0.72 CA2 (0.41) MEN1KMT2A
SCHEMBL4079803 0.70 TDP1 (0.44) MEN1KMT2APTGS2
SCHEMBL28913032 0.69 MEN1 (0.41) MEN1KMT2A
SCHEMBL27947755 0.67 PTGDR2 (0.40) MEN1KMT2A
SCHEMBL28838202 0.67 PTGS2 (0.39) MEN1KMT2APTGS2
SCHEMBL1158349 0.66 POLB (0.46) MEN1KMT2APTGS2
SCHEMBL11466585 0.66 TDP1 (0.58) MEN1KMT2A

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-115315423-A Substituted aryl compounds 先声药业有限公司 2022-11-08 CN disclosed