SCHEMBL29065124

SCHEMBL29065124

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
KMT2A Q03164 3/20 0.35
THRB P10828 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 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
SCHEMBL24035966 0.86 MAPT (0.38) MAPTKMT2ATHRBTSHRHTT
SCHEMBL24852874 0.86 MAPT (0.37) MAPTKMT2ATHRBMEN1LMNA
SCHEMBL29065017 0.84 CNR1 (0.32) MAPTKMT2ATHRBTSHR
SCHEMBL29065076 0.84 MAPT (0.38) MAPTKMT2ATHRBMEN1LMNA
SCHEMBL29064987 0.83 IRAK4 (0.32) MAPTKMT2ATHRBMEN1LMNA
SCHEMBL29064936 0.82 MAPT (0.35) MAPTKMT2ATHRBMEN1LMNA
SCHEMBL29065134 0.82 LMNA (0.36) MAPTKMT2AMEN1LMNATP53
SCHEMBL29184877 0.81 SLC5A7 (0.31)
SCHEMBL29065105 0.81 SLC5A7 (0.31)
SCHEMBL29065021 0.81 SLC5A7 (0.31)

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