SCHEMBL21589890

SCHEMBL21589890

CCSc1cc(N=S(C)(C)=O)cnc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 4/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HSPD1 P10809 2/20 0.32
▸ HSPE1 P61604 2/20 0.32
▸ PTPN5 P54829 2/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ SLC47A1 Q96FL8 1/20 0.31

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
SCHEMBL21589893 0.85 UTRN (0.40) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL25886484 0.85 UTRN (0.37) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL30989668 0.85 UTRN (0.37) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL23931457 0.78 UTRN (0.39) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL30260074 0.78 UTRN (0.39) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL23137392 0.77 UTRN (0.39) UTRNCYP1A2AHRHDAC6SMN1; SMN2
SCHEMBL23137423 0.76 UTRN (0.38) UTRNCYP1A2AHRHDAC6SMN1; SMN2
SCHEMBL23137401 0.72 UTRN (0.34) UTRNCYP1A2AHRHDAC6HSPD1
SCHEMBL15847456 0.72 UTRN (0.43) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL30989624 0.72 UTRN (0.43) UTRNCYP1A2AHRHDAC6LMNA

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-2019234160-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2019-12-12 — — WO disclosed
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