SCHEMBL3971963

SCHEMBL3971963

CN(C)c1ccccc1S(=O)(O)=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.56
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6265807 0.83 HTR6 (0.60) HTR6CA2CA12CA1CA4
SCHEMBL28326313 0.82 HTR6 (0.58) HTR6CA2CA12CA1CA4
SCHEMBL2117356 0.79 CA2 (0.67) HTR6CA2CA12CA1CA4
SCHEMBL29469920 0.79 CA2 (0.67) HTR6CA2CA12CA1CA4
SCHEMBL8683842 0.75 HTR6 (0.60) HTR6CA2CA12CA1CA4
SCHEMBL8231619 0.74 HTR6 (0.55) HTR6CA2CA12CA1CA4
SCHEMBL28466551 0.73 HTR6 (0.58) HTR6CA2CA12CA1CA4
SCHEMBL11708551 0.73 HTR6 (0.49) HTR6CA2CA12CA1CA4
SCHEMBL5166438 0.72 MYC (0.41) CA2CA1CA9ALDH1A1TSHR
SCHEMBL30131228 0.72 MYC (0.41) CA2CA1CA9ALDH1A1TSHR

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
WO-2009047534-A2 FUSED PHENOTHIAZINIUM COMPOUNDS, PREPARATION METHOD THEREOF AND USE AS PHOTOANTIMICROBIALS PHARMALUCIA LTD (GB) 2009-04-16 WO disclosed