SCHEMBL8090302

SCHEMBL8090302

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
RECQL P46063 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
EPAS1 Q99814 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
P2RX1 P51575 1/20 0.32
CHKA P35790 2/20 0.32
MLYCD O95822 1/20 0.31
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
SCHEMBL8098982 0.86 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1RECQLMAPT
SCHEMBL8098979 0.83 GRM2 (0.44) NR1H2NR1H3MLYCDGRM2
SCHEMBL8090615 0.83 ALDH1A1 (0.35) ALDH1A1LMNAMAPK1RECQLMAPT
SCHEMBL5827269 0.79 MEN1 (0.43) ALDH1A1HTTCA12CA1CA2
SCHEMBL8103211 0.77 FADS1 (0.44) ALDH1A1LMNAMAPTL3MBTL1GRM2
SCHEMBL8103660 0.77 NOTUM (0.45) MLYCDCYP3A4
SCHEMBL8090389 0.76 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8098636 0.75 MAPT (0.40) ALDH1A1LMNAMAPK1RECQLMAPT
SCHEMBL8097531 0.74 FAAH (0.42) ALDH1A1LMNAL3MBTL1HTTCYP3A4
SCHEMBL8096854 0.74 ATM (0.48) ALDH1A1L3MBTL1CA12CA1CA2

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