SCHEMBL1128031

SCHEMBL1128031

Cc1c(F)cc(-c2ccccc2NC(=O)Oc2cn(C)nc2C(F)(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.40
NPC1 O15118 1/20 0.39
NTRK1 P04629 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
RAB9A P51151 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3035362 0.94 CHRM3 (0.46) CHRM3NPC1NTRK1CHRM2CHRM1
SCHEMBL1538160 0.93 CHRM3 (0.40) CHRM3NPC1NTRK1
SCHEMBL3034363 0.91 CHRM3 (0.47) CHRM3NPC1NTRK1RAB9A
SCHEMBL1683009 0.91 CHRM3 (0.41) CHRM3NPC1NTRK1
SCHEMBL4846696 0.89 TACR1 (0.46) CHRM3NPC1NTRK1
SCHEMBL4775321 0.88 CHRM3 (0.46) CHRM3NPC1
SCHEMBL3024592 0.88 CHRM3 (0.44) CHRM3NPC1RAB9A
SCHEMBL3045842 0.87 CHRM3 (0.48) CHRM3
SCHEMBL4563652 0.87 CHRM3 (0.46) CHRM3NPC1NTRK1RAB9A
SCHEMBL4848250 0.87 CHRM3 (0.51) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2259675-B1 FUNGICIDAL COMPOSITIONS COMPRISING 3'-BROMINE-2,3,4,6'-TETRAMETHOXY-2'-6-DIMETHYLBENZOPHENONE BASF SE (DE) 2015-10-07 EP disclosed
EP-2309847-A2 OIL-IN-WATER EMULSION COMPRISING SOLVENT, WATER, SURFACTANT AND PESTICIDE BASF SE (DE) 2011-04-20 EP disclosed
EP-2296465-A2 CALCIUM SALTS OF PHOSPHOROUS ACID FOR INCREASING THE EFFECT OF FUNGICIDES BASF SE (DE) 2011-03-23 EP disclosed
EP-2282633-A1 PROCESS FOR THE PRODUCTION OF PARTICLES COMPRISING ACTIVE AGROCHEMICAL INGREDIENTS IN AMORPHOUS FORM BASF SE (DE) 2011-02-16 EP disclosed
EP-2259675-A2 FUNGICIDAL COMPOSITIONS COMPRISING 3'-BROMINE-2,3,4,6'-TETRAMETHOXY-2'-6-DIMETHYLBENZOPHENONE BASF SE (DE) 2010-12-15 EP disclosed
WO-2010010005-A2 OIL-IN-WATER EMULSION COMPRISING SOLVENT, WATER, SURFACTANT AND PESTICIDE BASF SE (DE) 2010-01-28 WO disclosed
EP-2142293-A2 ENZYMATIC METHOD FOR THE PRODUCTION OF MICROCAPSULES BASF SE (DE) 2010-01-13 EP disclosed
WO-2009150076-A2 CALCIUM SALTS OF PHOSPHOROUS ACID FOR INCREASING THE EFFECT OF FUNGICIDES BASF SE (DE) 2009-12-17 WO disclosed
WO-2009135865-A1 PROCESS FOR THE PRODUCTION OF PARTICLES COMPRISING ACTIVE AGROCHEMICAL INGREDIENTS IN AMORPHOUS FORM BASF SE (DE) 2009-11-12 WO disclosed
WO-2009103813-A2 FUNGICIDAL COMPOSITIONS COMPRISING 3'-BROMINE-2,3,4,6'-TETRAMETHOXY-2'-6-DIMETHYLBENZOPHENONE BASF SE (DE) 2009-08-27 WO disclosed
WO-2008132067-A2 ENZYMATIC METHOD FOR THE PRODUCTION OF MICROCAPSULES BASF SE (DE) 2008-11-06 WO disclosed