SCHEMBL29065077

SCHEMBL29065077

NC(=O)OCc1cnc(-c2cc3c(Br)cccc3n2C(F)C(F)F)s1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.30
PLK1 P53350 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
SCHEMBL29064951 0.85
SCHEMBL29065150 0.85 GLS (0.30)
SCHEMBL29065165 0.80 CDC7 (0.44) MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL29065083 0.79 POLB (0.35) ALDH1A1
SCHEMBL29065043 0.79 CYP1B1 (0.38) MAPT
SCHEMBL29064958 0.77 CYP2D6 (0.33)
SCHEMBL29065003 0.77 FFAR1 (0.33) MAPT
SCHEMBL29064928 0.75
SCHEMBL28457543 0.68 KDM4E (0.39) MAPTKDM4EL3MBTL1ALDH1A1ALOX12
SCHEMBL24036055 0.67 SRC (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