SCHEMBL31363261

SCHEMBL31363261

COc1cc(S(=O)(=O)CCC(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 7/20 0.50
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIRT6 Q8N6T7 1/20 0.40
PNMT P11086 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SNCA P37840 1/20 0.38

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
SCHEMBL29812082 0.82 TXNRD1 (0.48) TXNRD1ALDH1A1LMNATDP1SIRT6
SCHEMBL10911117 0.82 TXNRD1 (0.48) TXNRD1ALDH1A1LMNATDP1SIRT6
SCHEMBL28217544 0.82 ALDH1A1 (0.45) TXNRD1ALDH1A1LMNATDP1SIRT6
SCHEMBL31363712 0.80 MAPT (0.45) ALDH1A1LMNATDP1PNMT
SCHEMBL6522436 0.75 SMN1; SMN2 (0.54) ALDH1A1LMNATDP1SIRT6L3MBTL1
SCHEMBL30184523 0.75 SMN1; SMN2 (0.54) ALDH1A1LMNATDP1SIRT6L3MBTL1
SCHEMBL28826257 0.75 POLB (0.47) TXNRD1ALDH1A1LMNATDP1SIRT6
SCHEMBL15823469 0.74 ALDH1A1 (0.54) ALDH1A1LMNATDP1SIRT6GAA
SCHEMBL10911114 0.74 ALDH1A1 (0.51) TXNRD1ALDH1A1LMNATDP1SIRT6
SCHEMBL15824942 0.74 ALDH1A1 (0.51) ALDH1A1LMNATDP1SIRT6NPSR1

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed