SCHEMBL24212419

SCHEMBL24212419

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 3/20 0.43
PKM P14618 1/20 0.43
NOTUM Q6P988 2/20 0.41
RAF1 P04049 8/20 0.39
MAPK14 Q16539 5/20 0.39
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
IKBKB O14920 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK13 O15264 1/20 0.36

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
SCHEMBL24212638 0.88 MAPT (0.44) L3MBTL1MAPTPKMNOTUMRAF1
SCHEMBL161941 0.86 L3MBTL1 (0.60) L3MBTL1MAPTPKMRAF1MAPK14
SCHEMBL21152318 0.80 IKBKB (0.42) L3MBTL1MAPTPKMRAF1MAPK14
SCHEMBL29273316 0.80 NOTUM (0.47) L3MBTL1MAPTPKMNOTUMRAF1
Hydrochloric Acid SCHEMBL11007849 0.78 IKBKB (0.51) MAPTNOTUMRAF1MAPK14TSHR
SCHEMBL281723 0.78 RAF1 (0.42) L3MBTL1MAPTPKMNOTUMRAF1
SCHEMBL14390861 0.78 RAF1 (0.43) L3MBTL1MAPTRAF1TSHRHPGD
SCHEMBL2729001 0.78 GSK3B (0.43) L3MBTL1MAPTPKMRAF1TSHR
SCHEMBL5860633 0.77 IKBKB (0.51) MAPTHPGDMAPK1NPSR1IKBKB
SCHEMBL4062812 0.76 MAPT (0.42) L3MBTL1MAPTPKMNOTUMRAF1

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