SCHEMBL9574308

SCHEMBL9574308

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NC1CN(C(=O)[C@@H]2C[C@H](S)CN2C)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MAOB P27338 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
EPHX1 P07099 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 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
SCHEMBL8540849 0.93 EPHX2 (0.36) ATMMMP2ANPEPALDH1A1MAPT
SCHEMBL8439767 0.93 EPHX2 (0.39) ATMMMP2ANPEPALDH1A1EPHX1
SCHEMBL8439013 0.91 DPP8 (0.36) ATMMMP2ANPEPALDH1A1MAPT
SCHEMBL8580350 0.90 MMP2 (0.36) ATMMMP2ANPEPALDH1A1MAPT
SCHEMBL8439220 0.87 DPP8 (0.43) ATMMMP2ANPEPALDH1A1MAPT
SCHEMBL9578034 0.86 ALDH1A1 (0.37) ATMMMP2ANPEPALDH1A1MAPT
SCHEMBL9574384 0.84 ALDH1A1 (0.36) ATMMMP2ANPEPALDH1A1MAPT
SCHEMBL9574276 0.84 ALDH1A1 (0.36) ATMMMP2ANPEPALDH1A1MAPT
SCHEMBL8540640 0.84 EPHX2 (0.35) ATMMMP2ANPEPALDH1A1MAPT
SCHEMBL8542239 0.84 EPHX2 (0.35) ATMMMP2ANPEPALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed