SCHEMBL4292123

SCHEMBL4292123

Cn1ncc(OCC(F)(F)F)c(CBr)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
THRB P10828 1/20 0.36
G6PD P11413 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN9A Q15858 1/20 0.34
PREP P48147 1/20 0.33
BRD4 O60885 2/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 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
SCHEMBL4296086 0.84 BRD4 (0.38) MAPTKDM4EMEN1USP2ALDH1A1
SCHEMBL4283780 0.82 MAPK14 (0.38) MAPTKDM4EMEN1USP2ALDH1A1
SCHEMBL4282771 0.77 KAT2B (0.33) MAPTBRD4LRRK2BRD9
SCHEMBL4286330 0.72 CNR2 (0.31) CNR2
SCHEMBL4292315 0.72 BRD4 (0.33) MAPTALDH1A1BRD4CNR2
SCHEMBL8549796 0.70 MTOR (0.38) MAPTMEN1ALDH1A1KMT2ABRD4
SCHEMBL8544138 0.68 BPTF (0.45) MAPTALDH1A1BRD4BRD9
SCHEMBL22016782 0.64 ITGA4 (0.38) MAPTKDM4EALDH1A1CASP1HSD17B10
SCHEMBL4162037 0.64 SCN9A (0.33) SCN9A
SCHEMBL3753144 0.64 KMT2A (0.33) MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009158258-A1 HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-30 WO disclosed