SCHEMBL6972704

SCHEMBL6972704

FC(F)(F)c1ccncc1-c1ncco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
NTRK1 P04629 1/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
DHODH Q02127 1/20 0.36
CYP2C19 P33261 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
CYP11B2 P19099 3/20 0.36
HPGDS O60760 1/20 0.36
CYP11B1 P15538 1/20 0.35
SCD O00767 1/20 0.35
NOTUM Q6P988 1/20 0.35
ABL1 P00519 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL8199590 0.75 ALDH1A1 (0.37) ALDH1A1L3MBTL1SLC22A12DHODHCYP2C19
SCHEMBL6973287 0.74 ALDH1A1 (0.45) ALDH1A1L3MBTL1SLC22A12DHODHCYP2C19
SCHEMBL29286036 0.73 RAB9A (0.56) ALDH1A1DHODHCYP2C19CYP3A4CYP2D6
SCHEMBL30366154 0.73 RAB9A (0.56) ALDH1A1DHODHCYP2C19CYP3A4CYP2D6
SCHEMBL6777807 0.71 NOTUM (0.48) ALDH1A1L3MBTL1SLC22A12CYP11B2CYP11B1
SCHEMBL2835136 0.71 ALDH1A1 (0.36) ALDH1A1L3MBTL1SLC22A12DHODHCYP11B2
SCHEMBL6974393 0.71 CYP3A4 (0.38) ALDH1A1L3MBTL1SLC22A12DHODHCYP2C19
SCHEMBL6977794 0.71 ALDH1A1 (0.37) ALDH1A1L3MBTL1SLC22A12DHODHCYP2C19
SCHEMBL30703497 0.70 KDM4C (0.47) ALDH1A1L3MBTL1CYP2C19ADORA3ADORA2A
SCHEMBL7987568 0.70 HPGDS (0.54) ALDH1A1CYP2C19HPGDSCYP3A4CYP2D6

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