SCHEMBL4295087

SCHEMBL4295087

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.43
CASR P41180 1/20 0.39
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL4287126 0.83 KDM5B (0.42) KDM5BCASRMAOAMAOBMEN1
SCHEMBL4292476 0.80 KDM5B (0.38) KDM5BKDM4EHPGDMAOAMAOB
SCHEMBL4284829 0.77 KDM5B (0.42) KDM5BCASR
SCHEMBL4283815 0.75 KDM5B (0.46) KDM5BCASR
SCHEMBL4282510 0.73 CASR (0.41) KDM5BCASRALDH1A1
Iodomethane SCHEMBL4286519 0.73 KDM5B (0.44) KDM5BCASR
SCHEMBL4290492 0.66 KDM5B (0.33) KDM5BMAOAMAOB
SCHEMBL33834 0.66 KMT2A (0.70) MAOAMAOBMEN1KMT2AL3MBTL1
SCHEMBL27473281 0.65 TNF (0.36) KDM4EHPGDALDH1A1MAOAMAOB
SCHEMBL13259552 0.65 POLB (0.35) KDM4EHPGDALDH1A1MEN1KMT2A

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