SCHEMBL28409353

SCHEMBL28409353

N[C@@H](Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.52
GRM4 Q14833 2/20 0.52
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
KMO O15229 1/20 0.48
GRIA2 P42262 1/20 0.46
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL28409355 1.00 GRM8 (0.52) GRM8GRM4ALPIPKMPTGS1
SCHEMBL14280846 0.90 TDP1 (0.51) GRM8GRM4KMOTSHR
Hydrochloric Acid SCHEMBL4897460 0.88 TDP1 (0.50) GRM8GRM4KMOTSHR
Hydrochloric Acid SCHEMBL4897467 0.88 TDP1 (0.50) GRM8GRM4KMOTSHR
SCHEMBL6780117 0.86 GRM8 (0.46) GRM8GRM4ALPIPKMPTGS1
SCHEMBL2130029 0.86 ALDH1A1 (0.49) GRM8GRM4CYP1A2
SCHEMBL6832225 0.84 GRM8 (0.43) GRM8GRM4KMOGRIA2
SCHEMBL43105 0.82 ALPI (0.51) GRM8GRM4ALPIPKMPTGS1
SCHEMBL29429691 0.82 ALPI (0.51) GRM8GRM4ALPIPKMPTGS1
SCHEMBL28887865 0.82 GRIA2 (0.48) GRM8GRM4PKMSLC7A5GRIA2

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
CN-111163793-A Angiotensin receptor agonists and uses thereof 莫纳什大学 2020-05-15 CN disclosed