SCHEMBL9574282

SCHEMBL9574282

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NC1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
EPHX1 P07099 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
DRD4 P21917 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
SCHEMBL9574544 1.00 ALDH1A1 (0.36) ALDH1A1LMNAEPHX2SIGMAR1DPP8
SCHEMBL9574306 0.96 ALDH1A1 (0.36) ALDH1A1LMNAEPHX2SIGMAR1DPP8
SCHEMBL9574341 0.93 DPP8 (0.35) ALDH1A1LMNADPP8DPP9RAB9A
SCHEMBL9574214 0.93 DPP8 (0.35) ALDH1A1LMNADPP8DPP9RAB9A
SCHEMBL8435826 0.90 EPHX2 (0.38) ALDH1A1LMNAEPHX2SIGMAR1DPP8
SCHEMBL7459238 0.89 CCR2 (0.39) ALDH1A1LMNAEPHX2SIGMAR1DPP8
SCHEMBL7453683 0.89 SIGMAR1 (0.35) ALDH1A1LMNAEPHX2SIGMAR1DPP8
SCHEMBL8447430 0.87 TPSAB1 (0.39) ALDH1A1LMNADPP8DPP9RAB9A
SCHEMBL8444908 0.87 TPSAB1 (0.39) ALDH1A1LMNADPP8DPP9RAB9A
SCHEMBL8542239 0.87 EPHX2 (0.35) ALDH1A1EPHX2SIGMAR1DPP8DPP9

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