SCHEMBL6965929

SCHEMBL6965929

CNCc1cnc(-c2cnccc2C(F)(F)F)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 10/20 0.42
CYP3A4 P08684 10/20 0.42
CYP2D6 P10635 9/20 0.42
ALDH1A1 P00352 9/20 0.42
ALOX15 P16050 5/20 0.42
HSD17B10 Q99714 5/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 7/20 0.40
SLC22A12 Q96S37 1/20 0.39
USP2 O75604 1/20 0.38
LIMK1 P53667 1/20 0.38
TSHR P16473 5/20 0.37
CYP2A6 P11509 2/20 0.37
CYP2C9 P11712 1/20 0.37
TDP1 Q9NUW8 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP17A1 P05093 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
SCHEMBL6974393 0.82 CYP3A4 (0.38) CYP2C19CYP3A4CYP2D6ALDH1A1ALOX15
SCHEMBL6976691 0.78 LIMK1 (0.38) CYP2C19CYP3A4CYP2D6ALDH1A1ALOX15
SCHEMBL6973287 0.77 ALDH1A1 (0.45) CYP2C19CYP3A4CYP2D6ALDH1A1ALOX15
SCHEMBL6977794 0.71 ALDH1A1 (0.37) CYP2C19CYP3A4CYP2D6ALDH1A1ALOX15
SCHEMBL24883082 0.70 PRKCQ (0.43) CYP2C19CYP3A4
SCHEMBL29286036 0.70 RAB9A (0.56) CYP2C19CYP3A4CYP2D6ALDH1A1ALOX15
SCHEMBL30366154 0.70 RAB9A (0.56) CYP2C19CYP3A4CYP2D6ALDH1A1ALOX15
SCHEMBL6777807 0.69 NOTUM (0.48) ALDH1A1SLC22A12KDM4EL3MBTL1CYP17A1
SCHEMBL6972704 0.68 CFTR (0.41) CYP2C19CYP3A4CYP2D6ALDH1A1ALOX15
SCHEMBL8199590 0.67 ALDH1A1 (0.37) CYP2C19CYP3A4CYP2D6ALDH1A1ALOX15

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