SCHEMBL5293270

SCHEMBL5293270

COc1ccc(CS(=O)(=O)c2nc(COc3ccc(C)cc3)ns2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.37
FFAR1 O14842 2/20 0.36
PPARD Q03181 2/20 0.36
LMNA P02545 4/20 0.35
MET P08581 2/20 0.35
MAOB P27338 1/20 0.35
ALKBH1 Q13686 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
DRD4 P21917 1/20 0.34
MEN1 O00255 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
SCHEMBL5328645 0.83 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2MAPK1PPARDLMNA
SCHEMBL5328644 0.78 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2MAPK1LMNAMET
SCHEMBL5291890 0.74 PPARD (0.41) SMN1; SMN2FFAR1PPARDLMNAMAOB
SCHEMBL5298909 0.69 POLB (0.45) ALDH1A1HTTKMT2AMAPTTP53
SCHEMBL5298422 0.68 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2FFAR1KDM4EHTT
SCHEMBL5297846 0.66 AR (0.45) SMN1; SMN2LMNAMAOBNPC1RAB9A
SCHEMBL7535556 0.66 TUBB1 (0.43) ALDH1A1SMN1; SMN2MAPK1LMNANPC1
SCHEMBL29665700 0.66 TUBB1 (0.43) ALDH1A1SMN1; SMN2MAPK1LMNANPC1
SCHEMBL30745833 0.64 LMNA (0.48) ALDH1A1SMN1; SMN2MAPK1LMNAMAOB
SCHEMBL5290581 0.64 PLCG1 (0.47) ALDH1A1SMN1; SMN2LMNAHPGDHTT

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