SCHEMBL8090313

SCHEMBL8090313

O=C1CSCN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ADRB1 P08588 1/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CES2 O00748 1/20 0.33
XPO1 O14980 1/20 0.33
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
PTPN5 P54829 1/20 0.32
ALDH1A1 P00352 3/20 0.31
PKM P14618 1/20 0.31
ALOX5 P09917 1/20 0.31
HIF1A Q16665 1/20 0.31
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
PHOSPHO1 Q8TCT1 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
SCHEMBL8098867 0.85 MAPT (0.40) MAPTNFKB1NFKB2RELAALDH1A1
SCHEMBL8099139 0.84 MAPT (0.36) MAPTMEN1KMT2APTPN5ALDH1A1
SCHEMBL8105974 0.84 MEN1 (0.49) MAPTMEN1KMT2ANFKB1NFKB2
SCHEMBL8787841 0.83 CYP11B2 (0.40) MAPT
SCHEMBL8098928 0.83 MAPT (0.44) MAPTMEN1KMT2AMPIPHOSPHO1
SCHEMBL8787824 0.80 MAPT (0.45) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL14680395 0.79 MEN1 (0.48) ADRB1MEN1KMT2ACES2XPO1
SCHEMBL8099223 0.78 ADRB1 (0.35) ADRB1MEN1KMT2AXPO1HIF1A
SCHEMBL8787935 0.75 ALDH1A1 (0.39) MAPTALDH1A1
SCHEMBL8103262 0.74 MAPT (0.62) MAPTADRB1MEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed