SCHEMBL6977794

SCHEMBL6977794

O=Cc1cnc(-c2cnccc2C(F)(F)F)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
DHODH Q02127 1/20 0.36
CYP11B2 P19099 4/20 0.35
ABL1 P00519 1/20 0.34
CYP3A4 P08684 5/20 0.33
CYP2D6 P10635 5/20 0.33
CYP2C19 P33261 5/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
ERN1 O75460 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP11B1 P15538 1/20 0.32

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
SCHEMBL6973287 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1SLC22A12DHODHCYP11B2
SCHEMBL18529777 0.75 NPFFR1 (0.42) PSMB8NOTUM
SCHEMBL6974393 0.74 CYP3A4 (0.38) ALDH1A1L3MBTL1SLC22A12DHODHCYP11B2
SCHEMBL29286036 0.73 RAB9A (0.56) ALDH1A1DHODHCYP3A4CYP2D6CYP2C19
SCHEMBL30366154 0.73 RAB9A (0.56) ALDH1A1DHODHCYP3A4CYP2D6CYP2C19
SCHEMBL15062653 0.72 NPC1 (0.47) ALDH1A1CYP3A4CYP2D6CYP2C19ALOX15
SCHEMBL6965929 0.71 CYP2C19 (0.42) ALDH1A1L3MBTL1SLC22A12CYP3A4CYP2D6
SCHEMBL6972704 0.71 CFTR (0.41) ALDH1A1L3MBTL1SLC22A12DHODHCYP11B2
SCHEMBL8199590 0.70 ALDH1A1 (0.37) ALDH1A1L3MBTL1SLC22A12DHODHCYP11B2
SCHEMBL6777807 0.69 NOTUM (0.48) ALDH1A1L3MBTL1SLC22A12CYP11B2KDM4E

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 4 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 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
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