SCHEMBL4292476

SCHEMBL4292476

CCOc1nc(C(F)(F)F)c(CBr)c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.38
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4290492 0.87 KDM5B (0.33) KDM5BMAOAMAOB
SCHEMBL4295087 0.80 KDM5B (0.43) KDM5BMAOAMAOBMEN1KMT2A
SCHEMBL4291653 0.79 KDM5B (0.40) KDM5B
SCHEMBL4285932 0.78 KDM5B (0.35) KDM5B
SCHEMBL4295735 0.75 KDM5B (0.35) KDM5B
SCHEMBL4290776 0.71
SCHEMBL4287126 0.64 KDM5B (0.42) KDM5BMAOAMAOBMEN1KMT2A
SCHEMBL33834 0.63 KMT2A (0.70) MAOAMAOBMEN1KMT2AL3MBTL1
SCHEMBL939047 0.63 KDM4E (0.31) MEN1KMT2AHPGDKDM4E
SCHEMBL27473281 0.62 TNF (0.36) MAOAMAOBMEN1KMT2AL3MBTL1

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