SCHEMBL29360699

SCHEMBL29360699

COC(=O)c1cc(C(F)(F)C(F)(F)F)sc1CBr

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.35
SOS1 Q07889 1/20 0.35
NOTUM Q6P988 2/20 0.33
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 4/20 0.32
PKM P14618 1/20 0.32
PTPN2 P17706 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
RAF1 P04049 4/20 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
SCHEMBL29359939 0.86 CYP4F2 (0.41) HPGDL3MBTL1TSHRMAPK1NPSR1
SCHEMBL29358940 0.81 SOS1 (0.40) CFTRSOS1NOTUMHPGDL3MBTL1
SCHEMBL29360602 0.79 CFTR (0.39) CFTRSOS1NOTUMHPGDL3MBTL1
SCHEMBL24212638 0.77 MAPT (0.44) NOTUML3MBTL1TSHRMAPTPKM
SCHEMBL29362597 0.75 CYP4F2 (0.43) HPGDL3MBTL1TSHRMAPK1NPSR1
SCHEMBL20263330 0.75 ALDH1A1 (0.38) SOS1HPGDTSHRMAPK1NPSR1
SCHEMBL24212569 0.70 RAF1 (0.39) L3MBTL1TSHRMAPTPKMGAA
SCHEMBL24212568 0.70 RAF1 (0.40) L3MBTL1TSHRMAPTPKMALDH1A1
SCHEMBL29361246 0.69 PTPN2 (0.43) HPGDL3MBTL1TSHRMAPK1MAPT
SCHEMBL29360896 0.68 GAA (0.43) HPGDL3MBTL1TSHRMAPK1MAPT

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-2022017975-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-01-27 WO disclosed