SCHEMBL29975550

SCHEMBL29975550

COc1ccc(C(N)=O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 7/20 1.00
MKNK1 Q9BUB5 2/20 0.75
MKNK2 Q9HBH9 2/20 0.75
SMN1; SMN2 Q16637 1/20 0.55
SIRT6 Q8N6T7 1/20 0.55
PARP10 Q53GL7 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
HPGDS O60760 1/20 0.47
MAPT P10636 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 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
SCHEMBL71905 1.00 NNMT (1.00) NNMTMKNK1MKNK2SMN1; SMN2SIRT6
Hydrochloric Acid SCHEMBL5013391 0.98 NNMT (0.96) NNMTMKNK1MKNK2SMN1; SMN2SIRT6
Hydrochloric Acid SCHEMBL6234386 0.98 NNMT (0.96) NNMTMKNK1MKNK2SMN1; SMN2SIRT6
SCHEMBL5013528 0.92 NNMT (0.84) NNMTMKNK1MKNK2SMN1; SMN2SIRT6
SCHEMBL18228074 0.84 NNMT (0.72) NNMTMKNK1MKNK2SMN1; SMN2SIRT6
SCHEMBL1515510 0.84 NNMT (0.72) NNMTMKNK1MKNK2SMN1; SMN2SIRT6
SCHEMBL26034355 0.83 NNMT (0.68) NNMTMKNK1MKNK2SMN1; SMN2MAPT
SCHEMBL29757598 0.82 NNMT (0.70) NNMTMKNK1MKNK2SIRT6CA1
SCHEMBL29514668 0.82 NNMT (0.70) NNMTMKNK1MKNK2SMN1; SMN2SIRT6
SCHEMBL185291 0.82 NNMT (0.70) NNMTMKNK1MKNK2SIRT6CA1

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-115151256-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 CN disclosed