SCHEMBL29065076

SCHEMBL29065076

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.38
THRB P10828 3/20 0.38
TP53 P04637 2/20 0.34
TGFBR1 P36897 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
EZH2 Q15910 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 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
SCHEMBL24853073 0.87 MAPT (0.38) MAPTTHRBTP53TGFBR1KMT2A
SCHEMBL29064985 0.86 MAPT (0.36) MAPTTHRBTP53TGFBR1KMT2A
SCHEMBL29065124 0.84 MAPT (0.36) MAPTTHRBTP53KMT2AMEN1
SCHEMBL29064936 0.81 MAPT (0.35) MAPTTHRBTP53TGFBR1KMT2A
SCHEMBL24036476 0.79 MAPT (0.36) MAPTTHRBKMT2AMEN1LMNA
SCHEMBL24853702 0.79 MAPT (0.36) MAPTTHRBKMT2AMEN1LMNA
SCHEMBL26627925 0.78 MAPT (0.38) MAPTTHRBTP53LMNA
SCHEMBL29065134 0.78 LMNA (0.36) MAPTTP53KMT2AMEN1LMNA
SCHEMBL24853071 0.75 MAPT (0.36) MAPTTHRBTP53TGFBR1KMT2A
SCHEMBL24853109 0.74 MAPT (0.37) MAPTTHRBTP53TGFBR1KMT2A

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