SCHEMBL27353151

SCHEMBL27353151

COC(=O)c1cc(OC[C@H](C)NS(=O)(=O)C(F)(F)F)cc2c1CCCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SCN9A Q15858 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NLRP3 Q96P20 2/20 0.32
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 1/20 0.31
PARP1 P09874 2/20 0.31
ATM Q13315 1/20 0.31
TP53 P04637 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
RRM1 P23921 1/20 0.31
RRM2B Q7LG56 1/20 0.31
LMNA P02545 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
SCHEMBL30995629 1.00 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EHPGDSCN9A
SCHEMBL27353159 0.91 SCN9A (0.33) ALDH1A1KDM4EHPGDSCN9AL3MBTL1
SCHEMBL30995621 0.91 SCN9A (0.33) ALDH1A1KDM4EHPGDSCN9AL3MBTL1
SCHEMBL27353079 0.81 CTSK (0.33)
SCHEMBL30102993 0.81 L3MBTL1 (0.39) ALDH1A1MAPTKDM4EHPGDSCN9A
SCHEMBL27353139 0.80 NPC1 (0.37) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL27353135 0.79 AAK1 (0.35) ALDH1A1MAPTKDM4EHPGDSCN9A
SCHEMBL30995615 0.79 AAK1 (0.35) ALDH1A1MAPTKDM4EHPGDSCN9A
Hydrochloric Acid SCHEMBL30995648 0.79 L3MBTL1 (0.37) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL7676369 0.77 CXCR5 (0.37) ALDH1A1MAPTKDM4EHPGDNPC1

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-2024126650-A1 NOVEL BICYCLIC-CARBOXAMIDE COMPOUNDS USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION AG (CH) 2024-06-20 WO disclosed