SCHEMBL5367035

SCHEMBL5367035

CCC(=O)Nc1sc(C(C)=NO)cc1S(=O)(=O)N(C)CC(O)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.34
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL5367028 1.00 AOC3 (0.34) AOC3GAAHPGDALOX15ADORA3
SCHEMBL5357039 0.91 AOC3 (0.37) AOC3GAAHPGDALOX15ADORA3
SCHEMBL5354109 0.90 RXFP1 (0.39) AOC3MEN1KMT2ATP53MAPT
SCHEMBL5354113 0.90 RXFP1 (0.39) AOC3MEN1KMT2ATP53MAPT
SCHEMBL5366844 0.87 AOC3 (0.33) AOC3
SCHEMBL5348143 0.87 AOC3 (0.33) AOC3
SCHEMBL5348137 0.87 AOC3 (0.33) AOC3
SCHEMBL5367031 0.82 AOC3 (0.33) AOC3GAAHPGDALOX15ADORA3
SCHEMBL5352834 0.81 RXFP1 (0.41) AOC3HPGDMEN1KMT2ATP53
SCHEMBL5350418 0.78 AOC3 (0.35) AOC3TP53

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
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed