SCHEMBL28826257

SCHEMBL28826257

COC(=O)CS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
TXNRD1 Q16881 2/20 0.47
ALDH1A1 P00352 10/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHEK1 O14757 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 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
SCHEMBL8344491 0.84 POLB (0.47) POLBTXNRD1ALDH1A1LMNATDP1
SCHEMBL10911117 0.81 TXNRD1 (0.48) POLBTXNRD1ALDH1A1LMNATDP1
SCHEMBL29812082 0.81 TXNRD1 (0.48) POLBTXNRD1ALDH1A1LMNATDP1
SCHEMBL23144440 0.80 ALDH1A1 (0.43) TXNRD1ALDH1A1LMNATDP1SIRT6
SCHEMBL29812224 0.80 ALDH1A1 (0.43) TXNRD1ALDH1A1LMNATDP1SIRT6
SCHEMBL28826094 0.79 MAPT (0.49) POLBALDH1A1TDP1GAAKMT2A
SCHEMBL30612682 0.78 ALDH1A1 (0.54) POLBALDH1A1LMNATDP1CHEK1
SCHEMBL15823469 0.78 ALDH1A1 (0.54) POLBALDH1A1LMNATDP1CHEK1
SCHEMBL28217544 0.78 ALDH1A1 (0.45) POLBTXNRD1ALDH1A1LMNATDP1
SCHEMBL17550644 0.77 POLB (0.60) POLBALDH1A1TDP1GAAKMT2A

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
CN-115003299-A Methods and compounds for restoring function of mutant p53 皮姆维制药公司 2022-09-02 CN disclosed