SCHEMBL9199817

SCHEMBL9199817

O=C([C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)N1CC=CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
NPC1 O15118 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL9118610 0.93 MAOA (0.40) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9728223 0.90 DPP8 (0.46) TDP1DPP8DPP9
SCHEMBL9119637 0.89 DPP8 (0.45) ALDH1A1MAPTHPGDRAB9ADPP8
SCHEMBL9040592 0.87 ALDH1A1 (0.41) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8434820 0.87 TDP1 (0.43) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9040433 0.87 ALDH1A1 (0.41) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9120984 0.87 OPRK1 (0.39) TDP1ATMALDH1A1DPP8DPP9
SCHEMBL8435146 0.86 ALDH1A1 (0.39) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8521258 0.86 MAPT (0.39) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8521254 0.86 MAPT (0.39) 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 4 patents. 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
US-5122604-A 2-(2-Carbonyl-substituted pyrrolidin-4-yl)carbapenems and -penems; microbiocides SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1992-06-16 US disclosed
US-4933333-A β-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-06-12 US disclosed
EP-0126587-A1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-11-28 EP disclosed