SCHEMBL8090615

SCHEMBL8090615

CC(C)(C)C1SCN(c2cccc(S(=O)(=O)C(F)(F)F)c2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
LMNA P02545 3/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 2/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GRM2 Q14416 1/20 0.32
POLB P06746 1/20 0.32
CHKA P35790 2/20 0.31
MLYCD O95822 1/20 0.30
ESPL1 Q14674 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
SCHEMBL8098982 0.84 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1MAPTRECQL
SCHEMBL8090302 0.83 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1MAPTRECQL
SCHEMBL8098636 0.74 MAPT (0.40) ALDH1A1LMNAMAPK1MAPTRECQL
SCHEMBL8104930 0.69 GRM2 (0.45) NR1H2NR1H3GPR119GRM2
SCHEMBL8098979 0.69 GRM2 (0.44) NR1H2NR1H3GPR119GRM2MLYCD
SCHEMBL10985333 0.68 ALDH1A1 (0.34) ALDH1A1LMNAMAPK1MAPTRECQL
SCHEMBL7141166 0.66 HTR2A (0.41) ALDH1A1LMNAMAPK1MAPTRECQL
SCHEMBL7141164 0.66 HTR2A (0.41) ALDH1A1LMNAMAPK1MAPTRECQL
SCHEMBL8519013 0.66 ALDH1A1 (0.57) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL2301921 0.66 LMNA (0.64) ALDH1A1LMNAMAPK1MAPTRECQL

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