SCHEMBL9728199

SCHEMBL9728199

CC(=O)S[C@@H]1C[C@H](C(N)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.38
IDO1 P14902 2/20 0.37
HTT P42858 2/20 0.37
HTR2A P28223 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL9207938 1.00 RAB9A (0.40) RAB9AALDH1A1ATMMAPTHPGD
SCHEMBL9202630 1.00 RAB9A (0.40) RAB9AALDH1A1ATMMAPTHPGD
SCHEMBL9204236 1.00 RAB9A (0.40) RAB9AALDH1A1ATMMAPTHPGD
SCHEMBL9020078 0.92 RAB9A (0.38) RAB9AALDH1A1ATMMAPTHPGD
SCHEMBL9205032 0.91 ALDH1A1 (0.39) RAB9AALDH1A1ATMMAPTHPGD
SCHEMBL9728021 0.91 ATM (0.43) RAB9AALDH1A1ATMMAPTHPGD
SCHEMBL5108204 0.91 ATM (0.43) RAB9AALDH1A1ATMMAPTHPGD
SCHEMBL5095110 0.91 ATM (0.43) RAB9AALDH1A1ATMMAPTHPGD
SCHEMBL9381292 0.91 ATM (0.43) RAB9AALDH1A1ATMMAPTHPGD
SCHEMBL8541738 0.91 ATM (0.43) RAB9AALDH1A1ATMMAPTHPGD

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
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-4943569-A B-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-07-24 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