SCHEMBL9529534

SCHEMBL9529534

N#Cc1ccc(NN=CS(=O)(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CYP1B1 Q16678 1/20 0.45
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
MMP2 P08253 1/20 0.40
MAPT P10636 4/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MCL1 Q07820 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM1A O60341 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL4639713 0.71 CA1 (0.66) HTTSMN1; SMN2CA1CA2CA12
SCHEMBL23384891 0.70 CYP1B1 (0.41) HTTSMN1; SMN2CA1CA2CYP1B1
Sulfuric Acid SCHEMBL20984569 0.69 CA1 (0.58) HTTSMN1; SMN2CA1CA2CA12
SCHEMBL30677196 0.69 CYP1B1 (0.47) HTTSMN1; SMN2CA1CA2CYP1B1
SCHEMBL3707004 0.69 GRK2 (0.41) HTTSMN1; SMN2CYP1B1CA9MMP2
SCHEMBL9529531 0.68 CA1 (0.56) HTTSMN1; SMN2CA1CA2CA12
SCHEMBL21626722 0.68 GAA (0.59) HTTSMN1; SMN2CYP1B1MAPTLMNA
SCHEMBL30720835 0.67 CYP1B1 (0.42) HTTSMN1; SMN2CYP1B1MAPTLMNA
Sulfuric Acid SCHEMBL28856222 0.67 CA2 (0.50) HTTSMN1; SMN2CA1CA2CA12
Sulfuric Acid SCHEMBL28200132 0.67 CA1 (0.50) HTTSMN1; SMN2CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO disclosed
EP-0299533-A2 High potency sweetening agents THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1989-01-18 EP disclosed