SCHEMBL5328644

SCHEMBL5328644

COc1ccc(CS(=O)(=O)c2nc(C(S)c3ccc(C)cc3)ns2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDE2A O00408 3/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.32
CHRM4 P08173 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
TMEM97 Q5BJF2 1/20 0.32
DRD4 P21917 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL5293270 0.78 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPK1LMNANPC1
SCHEMBL5359842 0.77 LMNA (0.33) SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL5328645 0.77 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPK1LMNANPC1
SCHEMBL5291890 0.71 PPARD (0.41) SMN1; SMN2LMNARAB9AMAOB
SCHEMBL5298909 0.68 POLB (0.45) ALDH1A1MAPTTP53
SCHEMBL7535556 0.65 TUBB1 (0.43) SMN1; SMN2ALDH1A1MAPK1LMNANPC1
SCHEMBL29665700 0.65 TUBB1 (0.43) SMN1; SMN2ALDH1A1MAPK1LMNANPC1
SCHEMBL30745833 0.63 LMNA (0.48) SMN1; SMN2ALDH1A1MAPK1LMNARAB9A
SCHEMBL5298171 0.62 TXNRD1 (0.45) SMN1; SMN2ALDH1A1MAPK1LMNAMAPT
SCHEMBL24458142 0.62 TUBB1 (0.39) ALDH1A1MAPK1LMNARAB9AKDM4E

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 disclosed