SCHEMBL9394273

SCHEMBL9394273

N#CC1(S(=O)(=O)O)N=c2ccccc2=N1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP8 P40818 1/20 0.30
USP7 Q93009 1/20 0.30
USP47 Q96K76 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
SCHEMBL11218229 0.77 ALDH1A1 (0.38) TSHR
SCHEMBL83480 0.71 TSHR (0.37) TSHRSMN1; SMN2
SCHEMBL989262 0.69 TSHR (0.34) TSHRSMN1; SMN2
SCHEMBL149345 0.69 TSHR (0.34) TSHRSMN1; SMN2
SCHEMBL6519735 0.65 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL6519744 0.63 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL17784279 0.57 NPSR1 (0.37) TSHRSMN1; SMN2
Benzonitrile SCHEMBL28806619 0.57 TSHR (0.70) TSHRSMN1; SMN2
Sulfuric Acid SCHEMBL3839935 0.57 APAF1 (0.39) TSHRSMN1; SMN2
Benzonitrile SCHEMBL7635221 0.57 TSHR (0.70) TSHRSMN1; SMN2

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-1994018173-A1 BENZIMIDAZOLESULFONIC ACID DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1994-08-18 WO disclosed