SCHEMBL29260655

SCHEMBL29260655

COc1ccc2c(c1)C(=C[N+](=O)[O-])C(=O)N2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 9/20 0.53
▸ MAPT P10636 9/20 0.53
▸ SNCA P37840 9/20 0.53
▸ PARK7 Q99497 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.49
▸ EP300 Q09472 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ CASP4 P49662 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ CASP9 P55211 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CHRM5 P08912 2/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MAOA P21397 1/20 0.46

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
SCHEMBL29260651 1.00 APP (0.53) APPMAPTSNCAPARK7TDP1
SCHEMBL29260679 0.91 APP (0.53) APPMAPTSNCATDP1EP300
SCHEMBL29260681 0.91 APP (0.53) APPMAPTSNCATDP1EP300
SCHEMBL29260666 0.85 CASP1 (0.52) APPMAPTSNCACASP1CASP3
SCHEMBL29260669 0.85 CASP1 (0.52) APPMAPTSNCACASP1CASP3
SCHEMBL29260675 0.83 TRPA1 (0.67) APPMAPTSNCAPARK7CASP1
SCHEMBL29260673 0.83 TRPA1 (0.67) APPMAPTSNCAPARK7CASP1
SCHEMBL29260610 0.82 MAPT (0.66) APPMAPTSNCACASP1CASP3
SCHEMBL29260607 0.82 MAPT (0.66) APPMAPTSNCACASP1CASP3
SCHEMBL12930285 0.82 TRPA1 (0.69) APPMAPTSNCAPARK7TDP1

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-118184701-A Phosphono-substituted 3-methyleneoxindole compound and preparation and application thereof 浙江工业大学 2024-06-14 — — CN disclosed
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