SCHEMBL5290930

SCHEMBL5290930

CNc1nsc(S(=O)(=O)Cc2cccc(Oc3ccc(F)cc3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.39
MPO P05164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GCK P35557 1/20 0.37
SCN9A Q15858 3/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
KDR P35968 2/20 0.36
MET P08581 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
MMP13 P45452 1/20 0.35
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
NR3C1 P04150 1/20 0.34
FAAH O00519 2/20 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
SCHEMBL5299870 0.86 KCNH3 (0.41) ALDH1A1SCN9AKDRMETKDM4E
SCHEMBL5288569 0.84 GCK (0.50) ALDH1A1GCK
SCHEMBL5289981 0.84 MPO (0.42) FDFT1MPOALDH1A1GCKSCN9A
SCHEMBL5290923 0.83 LOXL2 (0.40) FDFT1MPOALDH1A1GCKSCN9A
SCHEMBL5298422 0.82 ALDH1A1 (0.39) FDFT1MPOALDH1A1GCKSCN9A
SCHEMBL5305528 0.77 SMN1; SMN2 (0.44) FDFT1MPOALDH1A1MMP2MMP9
SCHEMBL5304439 0.77 FDFT1 (0.42) FDFT1MPOALDH1A1SCN9AMMP2
SCHEMBL5293411 0.76 FDFT1 (0.41) FDFT1MPOALDH1A1MMP2MMP3
SCHEMBL5305531 0.76 FDFT1 (0.37) FDFT1MPOALDH1A1SCN9AMMP2
SCHEMBL5294347 0.69 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A

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-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