SCHEMBL31406451

SCHEMBL31406451

O=CC1CCC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ TSHR P16473 3/20 0.47
▸ SLC9A1 P19634 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KDM1A O60341 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ VCP P55072 1/20 0.40

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
SCHEMBL31406354 0.80 SLC9A1 (0.53) LMNATDP1TSHRSLC9A1ALDH1A1
SCHEMBL25350693 0.78 LMNA (0.46) LMNATDP1TSHRSLC9A1ALDH1A1
SCHEMBL31406431 0.78 SLC9A1 (0.52) LMNATDP1TSHRSLC9A1ALDH1A1
SCHEMBL31406442 0.78 LMNA (0.48) LMNATDP1TSHRSLC9A1ALDH1A1
SCHEMBL30317990 0.75 TSHR (0.59) LMNATDP1TSHRSLC9A1ALDH1A1
SCHEMBL10046438 0.75 TSHR (0.59) LMNATDP1TSHRSLC9A1ALDH1A1
SCHEMBL31406311 0.75 LMNA (0.48) LMNATDP1TSHRSLC9A1ALDH1A1
SCHEMBL31406306 0.75 SLC9A1 (0.59) LMNATDP1TSHRSLC9A1ALDH1A1
SCHEMBL31406402 0.75 SLC9A1 (0.49) LMNATDP1TSHRSLC9A1ALDH1A1
SCHEMBL7090504 0.74 SLC9A1 (0.58) LMNATSHRSLC9A1ALDH1A1MEN1

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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