SCHEMBL9574384

SCHEMBL9574384

CN1C[C@@H](S)C[C@H]1C(=O)N1CC[C@@H](NC(N)=NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CCR2 P41597 1/20 0.34
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
HSD11B1 P28845 1/20 0.33
DRD4 P21917 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9574276 1.00 ALDH1A1 (0.36) ALDH1A1LMNAEPHX2DPP8DPP9
SCHEMBL8435826 0.96 EPHX2 (0.38) ALDH1A1LMNAEPHX2DPP8DPP9
SCHEMBL8439013 0.94 DPP8 (0.36) ALDH1A1LMNADPP8DPP9ATM
SCHEMBL8540849 0.91 EPHX2 (0.36) ALDH1A1EPHX2DPP8DPP9SIGMAR1
SCHEMBL9574306 0.90 ALDH1A1 (0.36) ALDH1A1LMNAEPHX2DPP8DPP9
SCHEMBL8102813 0.89 SIGMAR1 (0.33) ALDH1A1LMNAEPHX2DPP8DPP9
SCHEMBL8435987 0.88 HSD11B1 (0.44) ALDH1A1EPHX2DPP8DPP9SIGMAR1
SCHEMBL8435984 0.88 HSD11B1 (0.44) ALDH1A1EPHX2DPP8DPP9SIGMAR1
SCHEMBL8439767 0.87 EPHX2 (0.39) ALDH1A1EPHX2DPP8DPP9SIGMAR1
SCHEMBL8542381 0.86 SIGMAR1 (0.35) ALDH1A1LMNAEPHX2DPP8DPP9

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