SCHEMBL31406299

SCHEMBL31406299

NC(=O)[C@@H]1CC[C@@H]1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.64
TSHR P16473 3/20 0.49
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CACNA1F O60840 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5778769 0.90 SLC9A1 (0.74) SLC9A1TSHRTP53LMNAALDH1A1
SCHEMBL31406306 0.87 SLC9A1 (0.59) SLC9A1TSHRTP53LMNAALDH1A1
SCHEMBL21200185 0.85 SLC9A1 (0.57) SLC9A1TSHRTP53LMNAALDH1A1
SCHEMBL21200226 0.82 SLC9A1 (0.54) SLC9A1TSHRTP53LMNAALDH1A1
SCHEMBL29867155 0.82 SLC9A1 (0.54) SLC9A1TSHRTP53LMNAALDH1A1
SCHEMBL31406354 0.80 SLC9A1 (0.53) SLC9A1TSHRLMNAALDH1A1MAPT
SCHEMBL5774969 0.80 SLC9A1 (0.68) SLC9A1TSHRTP53LMNAALDH1A1
SCHEMBL5775091 0.79 SLC9A1 (0.67) SLC9A1TSHRTP53LMNAALDH1A1
SCHEMBL6902353 0.79 SLC9A1 (0.67) SLC9A1TSHRTP53LMNAALDH1A1
SCHEMBL7002979 0.79 SLC9A1 (0.67) SLC9A1TSHRTP53LMNAALDH1A1

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-2025054369-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed