SCHEMBL29065136

SCHEMBL29065136

CC(C)(C#N)c1ccc(OC(N)=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
KIF11 P52732 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
ELANE P08246 2/20 0.33
POLB P06746 1/20 0.33
ADAMTS4 O75173 1/20 0.33
CYP2C19 P33261 1/20 0.32
BRAF P15056 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
ABL1 P00519 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
MTOR P42345 1/20 0.31
HSD11B1 P28845 1/20 0.30
LGMN Q99538 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL29177428 0.83 KMT2A (0.40) KIF11KMT2AMEN1ELANEPOLB
SCHEMBL28292591 0.81 KIF11 (0.39) KIF11KMT2AMEN1ELANEPOLB
SCHEMBL19251760 0.78 CHRNA7 (0.38) CHRNA7
SCHEMBL4762723 0.76 KIF11 (0.51) KIF11KMT2AMEN1
SCHEMBL15881209 0.74 KMT2A (0.41) KIF11KMT2AMEN1POLBJAK2
SCHEMBL28826166 0.73 CYP1A2 (0.35) CHRNA7ELANECYP2C19BRAFMTOR
SCHEMBL25295915 0.72 CHRNA7 (0.44) CHRNA7KMT2AMEN1BRAFJAK2
SCHEMBL30521483 0.72 CHRNA7 (0.44) CHRNA7KMT2AMEN1BRAFJAK2
SCHEMBL9413732 0.71 KMT2A (0.55) KIF11KMT2AMEN1
SCHEMBL30566578 0.71 KMT2A (0.55) KIF11KMT2AMEN1

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-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed