SCHEMBL31406442

SCHEMBL31406442

O=[N+]([O-])c1cccc(C2CCC2C(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ SLC9A1 P19634 1/20 0.46
▸ TSHR P16473 4/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ ALDH1A1 P00352 7/20 0.42
▸ GAA P10253 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDM1A O60341 3/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ ALOX15 P16050 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 0.78 SLC9A1 (0.53) LMNASLC9A1TSHRTDP1ALDH1A1
SCHEMBL31406451 0.78 LMNA (0.49) LMNASLC9A1TSHRTDP1ALDH1A1
SCHEMBL28103369 0.78 SLC9A1 (0.50) LMNASLC9A1TSHRTDP1ALDH1A1
SCHEMBL31406431 0.77 SLC9A1 (0.52) LMNASLC9A1TSHRTDP1ALDH1A1
SCHEMBL28103718 0.75 SLC9A1 (0.50) LMNASLC9A1TSHRTDP1ALDH1A1
SCHEMBL30317990 0.74 TSHR (0.59) LMNASLC9A1TSHRTDP1ALDH1A1
SCHEMBL10046438 0.74 TSHR (0.59) LMNASLC9A1TSHRTDP1ALDH1A1
SCHEMBL31406306 0.73 SLC9A1 (0.59) LMNASLC9A1TSHRTDP1ALDH1A1
SCHEMBL31406402 0.73 SLC9A1 (0.49) LMNASLC9A1TSHRTDP1ALDH1A1
SCHEMBL31406311 0.73 LMNA (0.48) LMNASLC9A1TSHRTDP1ALDH1A1

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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