SCHEMBL24212638

SCHEMBL24212638

COC(=O)c1sc(C(F)(F)C(F)(F)F)cc1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAF1 P04049 11/20 0.36
MAPK14 Q16539 7/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
IKBKB O14920 1/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOTUM Q6P988 1/20 0.33

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
SCHEMBL24212419 0.88 L3MBTL1 (0.46) MAPTPKML3MBTL1RAF1MAPK14
SCHEMBL161941 0.84 L3MBTL1 (0.60) MAPTPKML3MBTL1RAF1MAPK14
SCHEMBL24212569 0.79 RAF1 (0.39) MAPTPKML3MBTL1RAF1MAPK14
SCHEMBL24212568 0.79 RAF1 (0.40) MAPTPKML3MBTL1RAF1MAPK14
SCHEMBL21152318 0.77 IKBKB (0.42) MAPTPKML3MBTL1RAF1MAPK14
SCHEMBL29360699 0.77 CFTR (0.35) MAPTPKML3MBTL1RAF1MAPK14
SCHEMBL2729001 0.75 GSK3B (0.43) MAPTPKML3MBTL1RAF1KDM4E
SCHEMBL14390861 0.75 RAF1 (0.43) MAPTL3MBTL1RAF1KDM4ENPC1
SCHEMBL13545972 0.74 RAF1 (0.39) MAPTPKML3MBTL1RAF1KDM4E
SCHEMBL27928358 0.72 L3MBTL1 (0.57) MAPTPKML3MBTL1RAF1MAPK14

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-2022013417-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-01-20 WO disclosed