SCHEMBL31406402

SCHEMBL31406402

O=[N+]([O-])c1cccc(C2CCC2CO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ TSHR P16473 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ KDM1A O60341 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CACNA1F O60840 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CACNA1D Q01668 1/20 0.41
▸ CACNA1S Q13698 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ CES2 O00748 1/20 0.41

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
SCHEMBL31406431 0.80 SLC9A1 (0.52) SLC9A1LMNATSHRTDP1ALDH1A1
SCHEMBL31406354 0.78 SLC9A1 (0.53) SLC9A1LMNATSHRTDP1ALDH1A1
SCHEMBL31406306 0.77 SLC9A1 (0.59) SLC9A1LMNATSHRTDP1ALDH1A1
SCHEMBL31406299 0.75 SLC9A1 (0.64) SLC9A1LMNATSHRTDP1ALDH1A1
SCHEMBL28113530 0.75 SLC9A1 (0.50) SLC9A1LMNATSHRTDP1ALDH1A1
SCHEMBL28113532 0.75 SLC9A1 (0.50) SLC9A1LMNATSHRTDP1ALDH1A1
SCHEMBL31406451 0.75 LMNA (0.49) SLC9A1LMNATSHRTDP1ALDH1A1
SCHEMBL10046438 0.74 TSHR (0.59) SLC9A1LMNATSHRTDP1ALDH1A1
SCHEMBL30317990 0.74 TSHR (0.59) SLC9A1LMNATSHRTDP1ALDH1A1
SCHEMBL31406442 0.73 LMNA (0.48) SLC9A1LMNATSHRTDP1ALDH1A1

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
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