SCHEMBL27635697

SCHEMBL27635697

C=CCS(=O)(=O)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
DAO P14920 1/20 0.44
POLB P06746 2/20 0.41
LMNA P02545 4/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AURKA O14965 1/20 0.36
PARP1 P09874 1/20 0.35
HSP90AA1 P07900 2/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL6580197 0.81 CYP1A2 (0.57) MEN1CYP1A2KMT2ADAOPOLB
SCHEMBL4434568 0.74 DAO (0.52) MEN1CYP1A2KMT2ADAOPOLB
SCHEMBL644925 0.74 CYP1A2 (0.49) MEN1CYP1A2KMT2ADAOPOLB
SCHEMBL11551 0.71 MEN1 (0.62) MEN1CYP1A2KMT2ADAOPOLB
SCHEMBL4063446 0.71 CHRM1 (0.50) MEN1CYP1A2KMT2ADAOPOLB
SCHEMBL8581152 0.68 DAO (0.53) MEN1CYP1A2KMT2ADAOPOLB
SCHEMBL27278427 0.67
SCHEMBL31325586 0.67 ALDH3A1 (0.49) MEN1CYP1A2KMT2ADAOPOLB
SCHEMBL11034330 0.66 DAO (0.50) MEN1CYP1A2KMT2ADAOPOLB
SCHEMBL981536 0.65 DAO (0.59) MEN1CYP1A2KMT2ADAOPOLB

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-1823062-A Sulfonyldihydro- benzimidazolone compounds as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2006-08-23 CN disclosed