SCHEMBL9207326

SCHEMBL9207326

O=COC1C[C@H](C(=O)O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.37
MAOB P27338 1/20 0.37
PLA2G4B P0C869 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
SCHEMBL9728630 0.86 GAA (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9728638 0.86 GAA (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10390211 0.84 TDP1 (0.46) TDP1ATMRAB9AMAOB
SCHEMBL8437949 0.84 TDP1 (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8437950 0.84 TDP1 (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10390212 0.84 TDP1 (0.46) TDP1ATMRAB9AMAOB
SCHEMBL17446838 0.84 TDP1 (0.50) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10513485 0.84 TDP1 (0.41) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8436015 0.84 TDP1 (0.41) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10513490 0.84 TDP1 (0.41) TDP1ATMALDH1A1MAPTHPGD

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-0126587-B1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMA (JP) 1995-04-19 EP disclosed