SCHEMBL5289981

SCHEMBL5289981

Nc1nsc(S(=O)(=O)Cc2cccc(Oc3ccc(F)cc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.42
FDFT1 P37268 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP14 P50281 2/20 0.38
MMP3 P08254 1/20 0.38
CPB1 P15086 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SCN9A Q15858 6/20 0.36
NR3C1 P04150 1/20 0.36
SOS1 Q07889 1/20 0.35
FFAR1 O14842 1/20 0.35
GCK P35557 1/20 0.34

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
SCHEMBL5290923 0.88 LOXL2 (0.40) MPOFDFT1LOXL2MMP2MMP9
SCHEMBL5290930 0.84 FDFT1 (0.39) MPOFDFT1LOXL2MMP2MMP9
SCHEMBL5298422 0.83 ALDH1A1 (0.39) MPOFDFT1LOXL2MMP2MMP9
SCHEMBL5293411 0.81 FDFT1 (0.41) MPOFDFT1LOXL2MMP2MMP9
SCHEMBL5305528 0.80 SMN1; SMN2 (0.44) MPOFDFT1MMP2MMP9ALDH1A1
SCHEMBL5304439 0.80 FDFT1 (0.42) MPOFDFT1LOXL2MMP2MMP9
SCHEMBL5299870 0.79 KCNH3 (0.41) ALDH1A1SCN9A
SCHEMBL5305531 0.78 FDFT1 (0.37) MPOFDFT1MMP2MMP9MMP14
SCHEMBL5288569 0.77 GCK (0.50) ALDH1A1GCK
SCHEMBL5292190 0.72 CA12 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007012724-A1 1,2,4-THIADIAZOLE DERIVATIVES ANTIFUNGAL COMPOUNDS, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF CYTOMICS SYSTEMS (FR) 2007-02-01 WO claimed
WO-2007012724-A1 1,2,4-THIADIAZOLE DERIVATIVES ANTIFUNGAL COMPOUNDS, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF CYTOMICS SYSTEMS (FR) 2007-02-01 WO disclosed