SCHEMBL28826166

SCHEMBL28826166

COc1cc(C(C)(C)C#N)ncc1OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CHRNA7 P36544 1/20 0.33
BRAF P15056 2/20 0.33
HPGD P15428 1/20 0.32
CYP2C19 P33261 2/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ELANE P08246 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
MTOR P42345 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
DHODH Q02127 1/20 0.32
DYRK1A Q13627 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 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
SCHEMBL23144219 0.77 FGFR1 (0.35) L3MBTL1CHRNA7ATMALDH1A1MAPT
SCHEMBL28826217 0.75 L3MBTL1 (0.49) CYP1A2L3MBTL1CYP2C19ALDH1A1MAPT
SCHEMBL23144179 0.75 CHEK1 (0.38) BRAFDHODH
SCHEMBL29065136 0.73 CHRNA7 (0.43) CHRNA7BRAFCYP2C19ELANEMTOR
SCHEMBL23155782 0.72 ABL1 (0.38) BRAFALDH1A1EGFRDHODH
SCHEMBL23144302 0.71 FTO (0.42) CYP2C19ALDH1A1MAPTFGFR1FGFR4
SCHEMBL29811955 0.71 FTO (0.42) CYP2C19ALDH1A1MAPTFGFR1FGFR4
SCHEMBL28826091 0.69 KDM4E (0.36) CYP1A2HPGDCYP2C19ALDH1A1PDE4B
SCHEMBL29212362 0.69 CYP1A2 (0.34) CYP1A2L3MBTL1HPGDCYP2C19ALDH1A1
SCHEMBL29010902 0.68 CNR2 (0.39) BRAFALDH1A1

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-115003299-A Methods and compounds for restoring function of mutant p53 皮姆维制药公司 2022-09-02 CN disclosed