SCHEMBL31406306

SCHEMBL31406306

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.59
TP53 P04637 2/20 0.51
ALDH1A1 P00352 8/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 3/20 0.46
KDM1A O60341 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 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
SCHEMBL5775091 0.90 SLC9A1 (0.67) SLC9A1TP53ALDH1A1MAPTMEN1
SCHEMBL7002979 0.90 SLC9A1 (0.67) SLC9A1TP53ALDH1A1MAPTMEN1
SCHEMBL6902353 0.90 SLC9A1 (0.67) SLC9A1TP53ALDH1A1MAPTMEN1
SCHEMBL31406299 0.87 SLC9A1 (0.64) SLC9A1TP53ALDH1A1MAPTMEN1
SCHEMBL21200226 0.83 SLC9A1 (0.54) SLC9A1TP53ALDH1A1MAPTMEN1
SCHEMBL21200185 0.83 SLC9A1 (0.57) SLC9A1TP53ALDH1A1MAPTMEN1
SCHEMBL29867155 0.83 SLC9A1 (0.54) SLC9A1TP53ALDH1A1MAPTMEN1
SCHEMBL1817577 0.82 SLC9A1 (0.52) SLC9A1TP53ALDH1A1MAPTMEN1
SCHEMBL1817582 0.82 SLC9A1 (0.52) SLC9A1TP53ALDH1A1MAPTMEN1
SCHEMBL1817579 0.82 SLC9A1 (0.52) SLC9A1TP53ALDH1A1MAPTMEN1

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