SCHEMBL6572730

SCHEMBL6572730

Cc1ccnc(C(O)C(C)F)c1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
PIK3C3 Q8NEB9 4/20 0.35
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 5/20 0.31
LMNA P02545 2/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 2/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
BRD3 Q15059 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
SCHEMBL6812765 0.86 ALDH1A1 (0.37) ALOX5APFEN1PIK3C3MAPTNPSR1
SCHEMBL6816857 0.86 PIK3C3 (0.33) ALOX5APPIK3C3MAPTNPSR1CA12
SCHEMBL6574265 0.79 ALOX5AP (0.38) ALOX5APFEN1MAPTCA12CA1
SCHEMBL6817784 0.69 APLNR (0.35)
SCHEMBL8105745 0.67 NSD2 (0.41) ALOX5APFEN1MAPTNPSR1ALDH1A1
SCHEMBL7806543 0.66 ALOX5AP (0.36) ALOX5APFEN1CA12CA1CA2
SCHEMBL6819942 0.65 PIK3C3 (0.33) PIK3C3MAPTNPSR1ALDH1A1LMNA
SCHEMBL27713085 0.64 CA1 (0.44) ALOX5APFEN1NPSR1CA12CA1
SCHEMBL8106979 0.64 ALOX5AP (0.35) ALOX5APFEN1
SCHEMBL27492275 0.62 CA2 (0.35) CA12CA1CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806229-B1 SULFUR COMPOUNDS SUCH AS N-((4,6-DIMETHOXYPYRIMIDIN-2-YL) AMINOCARBONYL)-2-(2-FLUORO-1-METHOXYACTETOXY-N-PROPYL)PYRIDINE -3-SULFONAMIDE AND ISOMERS, USED AS PRE-AND/OR POST-EMERGENCE HERBICIDES LG LIFE SCIENCES (KR) 2004-10-19 US disclosed
US-6762305-B2 PRE- AND/OR POST-EMERGENCE TREATMENT IN RICE FARMING LG LIFE SCIENCES (KR) 2004-07-13 US disclosed
US-20040116298-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG LIFE SCIENCES 2004-06-17 US disclosed
EP-1334099-B1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2004-03-10 EP disclosed
EP-1334099-A4 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2003-08-13 EP disclosed
EP-1334099-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG Chem Investment Ltd. (KR) 2003-08-13 EP disclosed
WO-2002030921-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD. (KR) 2002-04-18 WO disclosed