SCHEMBL6573844

SCHEMBL6573844

COC(OC(C)=O)(c1ncccc1S(N)(=O)=O)C(C)F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 3/20 0.35
MAPK1 P28482 1/20 0.35
CA5A P35218 1/20 0.35
FTO Q9C0B1 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
LMNA P02545 2/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTGES2 Q9H7Z7 2/20 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
SCHEMBL5999594 0.76 GAA (0.47) ALDH1A1
SCHEMBL858994 0.69 CA1 (0.53) CA1CA2CA9MAPK1CA5A
SCHEMBL8105741 0.68 CA1 (0.38) CA1CA2CA9MAPK1CA5A
SCHEMBL486014 0.68 CA2 (0.51) CA1CA2CA9MAPK1CA5A
SCHEMBL6835065 0.67 CA2 (0.35) CA1CA2CA9MAPK1CA5A
SCHEMBL579071 0.67 CA2 (0.47) CA1CA2CA9MAPK1CA5A
SCHEMBL9288190 0.66 CA1 (0.38) CA1CA2CA9MAPK1CA5A
SCHEMBL17010352 0.64 TRPV4 (0.42) TRPV4HTT
SCHEMBL27713085 0.64 CA1 (0.44) CA1CA2CA9MAPK1CA5A
Trifluoroacetic Acid SCHEMBL14247260 0.64 NFE2L2 (0.48) CA1CA2CA9MAPK1CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762305-B2 PRE- AND/OR POST-EMERGENCE TREATMENT IN RICE FARMING LG LIFE SCIENCES (KR) 2004-07-13 US claimed
US-20040116298-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG LIFE SCIENCES 2004-06-17 US claimed
EP-1334099-B1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2004-03-10 EP claimed