SCHEMBL29543405

SCHEMBL29543405

CCN=S(=O)(c1ccc2oc(-c3ncc(OCC(F)(F)F)cc3S(=O)(=O)CC)nc2c1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ AHR P35869 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAOB P27338 1/20 0.33
▸ SLC47A1 Q96FL8 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSPD1 P10809 1/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ HSPE1 P61604 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL30092771 0.95 UTRN (0.39) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL27144997 0.95 UTRN (0.39) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL27140507 0.90 UTRN (0.38) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL29543122 0.87 UTRN (0.41) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL27152105 0.87 UTRN (0.41) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL29543114 0.86 UTRN (0.41) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL23137420 0.86 UTRN (0.40) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL23137423 0.84 UTRN (0.38) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL29543430 0.83 UTRN (0.38) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL29543243 0.83 UTRN (0.41) UTRNCYP1A2AHRHDAC6MAPT

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
CN-114450280-A Pesticidally active heterocyclic derivatives with sulphur-and sulphoxide imine substituents 先正达农作物保护股份公司 2022-05-06 — — CN claimed
Send feedback