SCHEMBL8435703

SCHEMBL8435703

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CCN(CCOC(N)=O)CC3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.36
ABCC1 P33527 2/20 0.36
ABCB1 P08183 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL8438198 1.00 KCNJ1 (0.42) KCNJ1KCNH2HRH2HRH1ALDH1A1
SCHEMBL9126481 0.97 KCNJ1 (0.40) KCNJ1KCNH2HRH2HRH1ALDH1A1
SCHEMBL8537216 0.94 KCNJ1 (0.42) KCNJ1KCNH2HRH2HRH1ALDH1A1
SCHEMBL8536785 0.91 KCNJ1 (0.44) KCNJ1KCNH2HRH2HRH1ALDH1A1
SCHEMBL8435824 0.91 KCNJ1 (0.44) KCNJ1KCNH2HRH2HRH1ALDH1A1
SCHEMBL9124566 0.91 KCNJ1 (0.40) KCNJ1KCNH2HRH2HRH1ALDH1A1
SCHEMBL9127478 0.91 KCNJ1 (0.40) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9127639 0.90 KCNJ1 (0.41) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8436501 0.88 GAA (0.42) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9126179 0.88 KCNJ1 (0.38) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
US-5420119-A Bactericides SANKYO COMPANY, LIMITED (JP) 1995-05-30 US disclosed
US-5310735-A Carbapenem derivatives having antibiotic activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1994-05-10 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed