SCHEMBL9574341

SCHEMBL9574341

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NC1CN(C(=O)C2CC(S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
LMNA P02545 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL9574214 1.00 DPP8 (0.35) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL9574306 0.94 ALDH1A1 (0.36) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL9574282 0.93 ALDH1A1 (0.36) DPP8DPP9RAB9ANPC1MAPT
SCHEMBL9574544 0.93 ALDH1A1 (0.36) DPP8DPP9RAB9ANPC1MAPT
SCHEMBL8580350 0.90 MMP2 (0.36) DPP8DPP9TDP1MAPTALDH1A1
SCHEMBL8439013 0.89 DPP8 (0.36) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL7453403 0.88 CCR5 (0.32) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL8438227 0.87 DPP8 (0.42) DPP8DPP9TDP1MAPTALDH1A1
SCHEMBL7454239 0.87 CCR5 (0.31) DPP8DPP9RAB9ANPC1MAPT
SCHEMBL7459238 0.86 CCR2 (0.39) DPP8DPP9RAB9AMAPTALDH1A1

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