SCHEMBL7822343

SCHEMBL7822343

COc1ccc(N(C(C)CC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.54
NFE2L2 Q16236 4/20 0.54
TP53 P04637 4/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 3/20 0.50
THRB P10828 1/20 0.49
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PPARG P37231 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL7826530 0.86 ESR1 (0.55) KEAP1NFE2L2MEN1KMT2AALDH1A1
SCHEMBL5622597 0.79 ALDH1A1 (0.53) KEAP1NFE2L2LMNAMEN1KMT2A
SCHEMBL5622693 0.77 ESR1 (0.54) KEAP1NFE2L2TP53LMNAALDH1A1
SCHEMBL5622125 0.77 PSEN1 (0.60) KEAP1NFE2L2LMNAMEN1KMT2A
SCHEMBL7821400 0.76 LMNA (0.72) KEAP1NFE2L2TP53LMNAMEN1
SCHEMBL2703773 0.76 PSEN1 (0.51) TP53LMNAMEN1KMT2AALDH1A1
SCHEMBL2704184 0.74 ESR1 (0.54) KEAP1NFE2L2LMNAMEN1KMT2A
SCHEMBL2703652 0.74 PSEN1 (0.57) KEAP1NFE2L2MEN1KMT2AALDH1A1
SCHEMBL2118315 0.73 PSEN1 (0.57) TP53LMNAMEN1KMT2AALDH1A1
SCHEMBL5644407 0.73 OXTR (0.57) KEAP1NFE2L2TP53LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed