SCHEMBL2317023

SCHEMBL2317023

O=C(O)C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MME P08473 5/20 0.51
LMNA P02545 2/20 0.46
FFAR2 O15552 1/20 0.42
MAPT P10636 2/20 0.40
MAPK8 P45983 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2317033 1.00 MEN1 (0.51) MEN1KMT2AMMELMNAFFAR2
SCHEMBL2315478 0.85 MEN1 (0.70) MEN1KMT2AMMELMNAFFAR2
SCHEMBL2315472 0.85 MEN1 (0.70) MEN1KMT2AMMELMNAFFAR2
SCHEMBL2318159 0.84 MME (0.59) KMT2AMMEFFAR2
SCHEMBL2317645 0.84 MME (0.59) KMT2AMMEFFAR2
SCHEMBL2317781 0.84 MME (0.47) KMT2AMMEFFAR2NPC1RAB9A
SCHEMBL2317640 0.84 MME (0.59) KMT2AMMEFFAR2
SCHEMBL2317792 0.84 MME (0.47) KMT2AMMEFFAR2NPC1RAB9A
SCHEMBL2314740 0.83 MEN1 (0.60) MEN1KMT2AMMELMNAMAPT
SCHEMBL2314735 0.83 MEN1 (0.60) MEN1KMT2AMMELMNAMAPT

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
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO claimed