SCHEMBL29065022

SCHEMBL29065022

CC(C)(C)OC(=O)NCc1nc(-c2cc3c(Br)cccc3n2C(F)C(F)F)no1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.39
CYP1A2 P05177 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC10 Q969S8 1/20 0.38
MAPT P10636 4/20 0.37
BRD4 O60885 3/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL24035241 0.85 CYP2D6 (0.43) CYP2D6CYP1A2HDAC6HDAC10MAPT
SCHEMBL24035200 0.85 CYP2D6 (0.40) CYP2D6CYP1A2HDAC6HDAC10MAPT
SCHEMBL29065088 0.81 CYP2D6 (0.32) CYP2D6CYP1A2BRD4
SCHEMBL29065003 0.80 FFAR1 (0.33) MAPTTSHRMEN1KMT2ATP53
SCHEMBL29065110 0.78 NOTUM (0.34) ALDH1A1
SCHEMBL29064985 0.77 MAPT (0.36) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL29065052 0.75 MEN1 (0.32) MEN1KMT2A
SCHEMBL26735719 0.75 CYP2D6 (0.41) CYP2D6CYP1A2HDAC6HDAC10MAPT
SCHEMBL24036289 0.75 CYP2D6 (0.38) CYP2D6CYP1A2HDAC6HDAC10MAPT
SCHEMBL29065124 0.74 MAPT (0.36) MAPTTSHRMEN1LMNAKMT2A

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