SCHEMBL9020388

SCHEMBL9020388

CC(=O)S[C@H]1C[C@@H](C2CC(=O)N2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CCR5 P51681 2/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.35
PAX8 Q06710 1/20 0.35
KMT2A Q03164 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
SCHEMBL9020318 0.87 ATM (0.45) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020195 0.87 ALDH1A1 (0.41) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020407 0.87 ALDH1A1 (0.41) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020444 0.85 TDP1 (0.44) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020650 0.85 TDP1 (0.44) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9519199 0.84 PREP (0.43) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9519307 0.83 PREP (0.42) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9520655 0.83 PREP (0.44) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9754707 0.83 ATM (0.43) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020543 0.83 ATM (0.38) 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 5 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
US-5374720-A A thienamycins bactericides has nontoxic, side effect reduction against the kidney and central nervous system BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-12-20 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