SCHEMBL2585574

SCHEMBL2585574

NS(=O)(=O)Oc1nncs1.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.44
CA1 P00915 12/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
CA9 Q16790 12/20 0.37
AKT1 P31749 1/20 0.33
FBP1 P09467 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
STS P08842 2/20 0.31

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
SCHEMBL4634316 0.68
SCHEMBL5097249 0.68 CA2 (0.48) CA2CA1CA4CA5ACA5B
SCHEMBL2591217 0.68 ALDH1A1 (0.38) CA2CA1CA9FBP1TSHR
SCHEMBL8156347 0.68 FBP1 (0.42) CA2CA1CA4CA5ACA5B
SCHEMBL2399941 0.66
SCHEMBL3165386 0.65 ALDH1A1 (0.39) CA2CA1CA9FBP1TSHR
SCHEMBL15271949 0.64 CA2 (0.37) CA2CA1CA9STS
SCHEMBL27270091 0.60
SCHEMBL29395571 0.58 CA1 (0.40) CA2CA1CA4CA5ACA5B
SCHEMBL6264790 0.57 LTA4H (0.44) MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123135-A1 Methods To Identify Modulators of TAS2R48 Receptors GIVAUDAN SA (CH) 2013-05-16 US disclosed
US-20130115624-A1 Methods To Identify Modulators GIVAUDAN S.A. (CH) 2013-05-09 US disclosed
EP-2567231-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS Givaudan SA (CH) 2013-03-13 EP disclosed
EP-2567229-A1 METHODS TO IDENTIFY MODULATORS Givaudan SA (CH) 2013-03-13 EP disclosed
WO-2011138455-A1 METHODS TO IDENTIFY MODULATORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed
WO-2011138456-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed