SCHEMBL6972708

SCHEMBL6972708

FC(F)(F)c1ccnc(N2C=COC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.49
NPSR1 Q6W5P4 1/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
CYP17A1 P05093 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MAPK1 P28482 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MTOR P42345 1/20 0.33
SMG1 Q96Q15 1/20 0.33

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
SCHEMBL6780438 0.70 ADRB1 (0.49) ADRB1NPSR1NOS3NOS2CYP17A1
SCHEMBL18176129 0.69 ADRB1 (0.73) ADRB1NPSR1NOS3NOS2FFAR4
SCHEMBL24363082 0.69 ADRB1 (0.68) ADRB1FFAR4MAPTKDM4EALDH1A1
SCHEMBL24008459 0.68 ADRB1 (0.71) ADRB1NPSR1NOS3NOS2FFAR4
SCHEMBL1901605 0.67 ADRB1 (0.69) ADRB1NPSR1NOS3NOS2CYP17A1
SCHEMBL15925146 0.67 ADRB1 (0.53) ADRB1NPSR1NOS3NOS2CYP17A1
SCHEMBL1998032 0.67 ADRB1 (0.69) ADRB1NPSR1NOS3NOS2CYP17A1
SCHEMBL21858471 0.67 ADRB1 (0.60) ADRB1NPSR1NOS3NOS2CYP17A1
SCHEMBL210342 0.66 ADRB1 (1.00) ADRB1FFAR4MAPTKDM4EALDH1A1
SCHEMBL4471479 0.66 ADRB1 (0.59) ADRB1NPSR1NOS3NOS2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6555501-B1 Such as 5-methyl-2-(4-trifluoromethyl-3-pyridyl)-oxazole having improved toxicity in controlling insects and spider mites HOECHST SCHERING AGREVO GMBH (DE) 2003-04-29 US claimed
EP-1140921-B1 4-TRIFLUOROMETHYL-3-OXAZOLYLPYRIDINES, METHOD FOR PRODUCING THEM, PRODUCTS CONTAINING THE SAME, AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-04-02 EP claimed
EP-1140921-A1 4-TRIFLUOROMETHYL-3-OXAZOLYLPYRIDINES, METHOD FOR PRODUCING THEM, PRODUCTS CONTAINING THE SAME, AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-10-10 EP claimed
WO-2000035912-A1 4-TRIFLUOROMETHYL-3-OXAZOLYLPYRIDINES, METHOD FOR PRODUCING THEM, PRODUCTS CONTAINING THE SAME, AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO claimed
US-6555501-B1 Such as 5-methyl-2-(4-trifluoromethyl-3-pyridyl)-oxazole having improved toxicity in controlling insects and spider mites HOECHST SCHERING AGREVO GMBH (DE) 2003-04-29 US disclosed
US-6555501-B1 Such as 5-methyl-2-(4-trifluoromethyl-3-pyridyl)-oxazole having improved toxicity in controlling insects and spider mites HOECHST SCHERING AGREVO GMBH (DE) 2003-04-29 US disclosed
EP-1140921-B1 4-TRIFLUOROMETHYL-3-OXAZOLYLPYRIDINES, METHOD FOR PRODUCING THEM, PRODUCTS CONTAINING THE SAME, AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-04-02 EP disclosed
EP-1140921-B1 4-TRIFLUOROMETHYL-3-OXAZOLYLPYRIDINES, METHOD FOR PRODUCING THEM, PRODUCTS CONTAINING THE SAME, AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-04-02 EP disclosed
EP-1140921-A1 4-TRIFLUOROMETHYL-3-OXAZOLYLPYRIDINES, METHOD FOR PRODUCING THEM, PRODUCTS CONTAINING THE SAME, AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-10-10 EP disclosed
EP-1140921-A1 4-TRIFLUOROMETHYL-3-OXAZOLYLPYRIDINES, METHOD FOR PRODUCING THEM, PRODUCTS CONTAINING THE SAME, AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-10-10 EP disclosed
WO-2000035912-A1 4-TRIFLUOROMETHYL-3-OXAZOLYLPYRIDINES, METHOD FOR PRODUCING THEM, PRODUCTS CONTAINING THE SAME, AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO disclosed
WO-2000035912-A1 4-TRIFLUOROMETHYL-3-OXAZOLYLPYRIDINES, METHOD FOR PRODUCING THEM, PRODUCTS CONTAINING THE SAME, AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO disclosed