SCHEMBL9574306

SCHEMBL9574306

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
HSD11B1 P28845 1/20 0.34
EPHX2 P34913 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9574282 0.96 ALDH1A1 (0.36) ALDH1A1LMNADPP8DPP9EPHX2
SCHEMBL9574544 0.96 ALDH1A1 (0.36) ALDH1A1LMNADPP8DPP9EPHX2
SCHEMBL9574341 0.94 DPP8 (0.35) ALDH1A1LMNADPP8DPP9RAB9A
SCHEMBL9574214 0.94 DPP8 (0.35) ALDH1A1LMNADPP8DPP9RAB9A
SCHEMBL7459238 0.93 CCR2 (0.39) ALDH1A1LMNADPP8DPP9HSD11B1
SCHEMBL8541702 0.91 EPHX2 (0.35) ALDH1A1DPP8DPP9HSD11B1EPHX2
SCHEMBL8542239 0.91 EPHX2 (0.35) ALDH1A1DPP8DPP9HSD11B1EPHX2
SCHEMBL9574384 0.90 ALDH1A1 (0.36) ALDH1A1LMNADPP8DPP9HSD11B1
SCHEMBL9574276 0.90 ALDH1A1 (0.36) ALDH1A1LMNADPP8DPP9HSD11B1
SCHEMBL8104455 0.90 HSD11B1 (0.37) ALDH1A1LMNADPP8DPP9HSD11B1

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