SCHEMBL8098982

SCHEMBL8098982

O=C1C(Cl)SCN1c1cccc(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
P2RX1 P51575 1/20 0.33
EPAS1 Q99814 2/20 0.32
CTSG P08311 2/20 0.32
CMA1 P23946 2/20 0.32
CA7 P43166 2/20 0.32
CYP3A4 P08684 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
SCHEMBL8090302 0.86 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1MAPTRECQL
SCHEMBL8090615 0.84 ALDH1A1 (0.35) ALDH1A1LMNAMAPK1MAPTRECQL
SCHEMBL8104930 0.83 GRM2 (0.45) NR1H2NR1H3GRM2
SCHEMBL6509757 0.80 MEN1 (0.43) ALDH1A1HTTCA1CA2CA12
SCHEMBL8098636 0.79 MAPT (0.40) ALDH1A1LMNAMAPK1MAPTRECQL
SCHEMBL8096938 0.78 FADS1 (0.44) ALDH1A1LMNAMAPTL3MBTL1GRM2
SCHEMBL8089666 0.78 DRD2 (0.44) CYP3A4
SCHEMBL8105245 0.78 ALDH1A1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2CTSG
SCHEMBL10985333 0.76 ALDH1A1 (0.34) ALDH1A1LMNAMAPK1MAPTRECQL
SCHEMBL8097791 0.75 L3MBTL1 (0.45) ALDH1A1MAPTL3MBTL1HTTGRM2

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