SCHEMBL29064936

SCHEMBL29064936

COCC(C)(C)n1cc(C(=O)NCc2nc(-c3cc4c(N)cccc4n3C(F)C(F)F)no2)cn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.35
THRB P10828 3/20 0.35
KMT2A Q03164 3/20 0.33
TP53 P04637 3/20 0.33
TGFBR1 P36897 1/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.32
KLKB1 P03952 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL29065152 0.89 MAPT (0.39) MAPTTHRBKMT2ATP53TGFBR1
SCHEMBL24035282 0.87 MAPT (0.36) MAPTTHRBKMT2ATP53KLKB1
SCHEMBL29065124 0.82 MAPT (0.36) MAPTTHRBKMT2ATP53MEN1
SCHEMBL29065076 0.81 MAPT (0.38) MAPTTHRBKMT2ATP53TGFBR1
SCHEMBL24035640 0.78 MAPT (0.38) MAPTTHRBKMT2ATP53KLKB1
SCHEMBL30295639 0.77 MAPT (0.40) MAPTTHRBKMT2ATP53PPARA
SCHEMBL29065134 0.76 LMNA (0.36) MAPTKMT2ATP53MEN1LMNA
SCHEMBL24035278 0.76 MAPT (0.36) MAPTTHRBKMT2ATP53TGFBR1
SCHEMBL29065034 0.75 IRAK4 (0.36) MAPT
SCHEMBL29065087 0.74 HDAC4 (0.31) MAPTKMT2A

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