SCHEMBL9020543

SCHEMBL9020543

CC(=O)S[C@H]1C[C@@H](C2CCNC2=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CCR5 P51681 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9020372 0.86 TDP1 (0.40) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020638 0.86 TDP1 (0.40) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020318 0.83 ATM (0.45) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020388 0.83 ATM (0.41) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9754707 0.83 ATM (0.43) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020164 0.83 ATM (0.43) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020195 0.83 ALDH1A1 (0.41) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020407 0.83 ALDH1A1 (0.41) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9519199 0.82 PREP (0.43) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020004 0.81 CCR5 (0.41) ATMALDH1A1MAPTHPGDTDP1

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-0449191-B1 2-(Substituted pyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5438054-A Antibacterial agent BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
WO-1991014687-A1 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-03 WO disclosed
EP-0449191-A1 2-(Substituted pyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-10-02 EP disclosed