SCHEMBL29135072

SCHEMBL29135072

NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.O=C(O)N1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.74
AKR1C1 Q04828 1/20 0.65
GAA P10253 3/20 0.64
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 1/20 0.58
STAT3 P40763 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ATM Q13315 1/20 0.57
NR3C1 P04150 1/20 0.55
AR P10275 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55

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
Benzoic Acid SCHEMBL29134718 0.91 AKR1C3 (0.84) AKR1C3AKR1C1GAAMEN1KMT2A
SCHEMBL30679105 0.85 AKR1C3 (1.00) AKR1C3AKR1C1GAAMEN1KMT2A
SCHEMBL664241 0.85 AKR1C3 (1.00) AKR1C3AKR1C1GAAMEN1KMT2A
SCHEMBL29135079 0.84 AKR1C3 (0.72) AKR1C3AKR1C1GAAMEN1KMT2A
SCHEMBL29134721 0.83 AKR1C3 (0.70) AKR1C3AKR1C1GAAMEN1KMT2A
2-Picolinic Acid SCHEMBL29135065 0.83 AKR1C3 (0.70) AKR1C3AKR1C1GAAMEN1KMT2A
Thiophene Carboxylic Acid SCHEMBL29135074 0.83 AKR1C3 (0.70) AKR1C3AKR1C1GAAMEN1KMT2A
SCHEMBL23559189 0.80 KMT2A (0.81) AKR1C3GAAMEN1KMT2ALMNA
SCHEMBL663840 0.80 AKR1C3 (1.00) AKR1C3AKR1C1GAAMEN1KMT2A
SCHEMBL30926847 0.78 AKR1C3 (0.77) AKR1C3AKR1C1GAAMEN1KMT2A

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-117298108-A Androgen receptor and glucocorticoid receptor dual-target inhibitor and application thereof 浙江师范大学 2023-12-29 CN disclosed