SCHEMBL7003545

SCHEMBL7003545

C[C@@H](c1ccccc1)N1CCc2c(sc(N)c2C(=O)O)C1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 18/20 0.40
NFE2L2 Q16236 5/20 0.40
ADORA1 P30542 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5768503 0.89 GRM6 (0.37) KEAP1NFE2L2ADORA1KMT2A
SCHEMBL5769847 0.89 GRM6 (0.37) KEAP1NFE2L2ADORA1KMT2A
SCHEMBL5768500 0.89 GRM6 (0.37) KEAP1NFE2L2ADORA1KMT2A
SCHEMBL5838542 0.85 ADORA1 (0.43) ADORA1KMT2A
SCHEMBL6999013 0.85 ADORA1 (0.43) ADORA1KMT2A
SCHEMBL7490590 0.82 KEAP1 (0.45) KEAP1NFE2L2ADORA1ATML3MBTL1
SCHEMBL7094861 0.78 ADORA1 (0.40) ADORA1KMT2A
SCHEMBL7094863 0.78 ADORA1 (0.40) ADORA1KMT2A
SCHEMBL5768050 0.74 GRM6 (0.41) ADORA1KMT2A
SCHEMBL7560915 0.74 GRM6 (0.41) ADORA1KMT2A

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
EP-1301516-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2003-04-16 EP disclosed