SCHEMBL29064985

SCHEMBL29064985

COCC(C)n1ccc(C(=O)NCc2nc(-c3cc4c(NC(=O)OC(C)(C)C)cccc4n3C(F)C(F)F)no2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
THRB P10828 4/20 0.36
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TGFBR1 P36897 1/20 0.31
TP53 P04637 1/20 0.31
AKT1 P31749 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL24853071 0.89 MAPT (0.36) MAPTTHRBKMT2ATGFBR1TP53
SCHEMBL29065076 0.86 MAPT (0.38) MAPTTHRBKMT2AMEN1LMNA
SCHEMBL29065022 0.77 CYP2D6 (0.39) MAPTTHRBKMT2AMEN1LMNA
SCHEMBL24035973 0.76 MAPT (0.37) MAPTTHRBKMT2ATP53
SCHEMBL24852871 0.76 MAPT (0.36) MAPTTHRBKMT2AMEN1LMNA
SCHEMBL24853073 0.76 MAPT (0.38) MAPTTHRBKMT2AMEN1LMNA
SCHEMBL26627925 0.76 MAPT (0.38) MAPTTHRBLMNATP53ALDH1A1
SCHEMBL29065124 0.74 MAPT (0.36) MAPTTHRBKMT2AMEN1LMNA
SCHEMBL26756814 0.73 MAPT (0.32) MAPTTHRBTP53
SCHEMBL29064987 0.73 IRAK4 (0.32) MAPTTHRBKMT2AMEN1LMNA

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