SCHEMBL4650847

SCHEMBL4650847

NC(=O)c1cnc(CC(F)(F)F)nc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGDS O60760 1/20 0.34
MAOB P27338 1/20 0.34
VNN1 O95497 3/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 2/20 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
SCHEMBL3395143 0.74 LMNA (0.39)
SCHEMBL840723 0.74 NNMT (0.36) NNMTSMN1; SMN2KMT2AL3MBTL1KDM4E
SCHEMBL17101820 0.74 NNMT (0.45) NNMTSMN1; SMN2L3MBTL1KDM4EHPGDS
SCHEMBL2871260 0.74 NNMT (0.45) NNMTSMN1; SMN2KMT2AL3MBTL1KDM4E
SCHEMBL31510758 0.72 NNMT (0.44) NNMTSMN1; SMN2L3MBTL1KDM4EPOLB
SCHEMBL3407188 0.71 NNMT (0.56) NNMTSMN1; SMN2L3MBTL1KDM4EPOLB
SCHEMBL22401242 0.71 NNMT (0.42) NNMTSMN1; SMN2KMT2AL3MBTL1KDM4E
SCHEMBL3815850 0.71 NNMT (0.42) NNMTSMN1; SMN2L3MBTL1KDM4EPOLB
SCHEMBL27668279 0.71 NNMT (0.42) NNMTSMN1; SMN2L3MBTL1KDM4EVNN1
SCHEMBL15635948 0.70 ACACB (0.45) NNMTVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1965645-A2 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-09-10 EP claimed
WO-2007070606-A2 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-06-21 WO claimed