SCHEMBL6249154

SCHEMBL6249154

FC(F)(F)COc1cc(S)ncn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.31
CHKA P35790 1/20 0.31
EPHX2 P34913 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL21538385 0.77 L3MBTL1 (0.40) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL29072886 0.77 MAPT (0.37) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL558551 0.77 HDAC1 (0.43) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL17309636 0.77 NUDT1 (0.39) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL558358 0.77 CA2 (0.52) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL30117189 0.77 MAPT (0.37) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL10220461 0.74 CA2 (0.36) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL30939084 0.74 MAPT (0.39) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL30361289 0.74 ALDH1A1 (0.35) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL12963904 0.74 ALDH1A1 (0.35) MAPTALDH1A1L3MBTL1KDM4EMEN1

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-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed