SCHEMBL4007092

SCHEMBL4007092

O=[N+]([O-])c1cc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1-c1nn[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.35
XDH P47989 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
GPR35 Q9HC97 3/20 0.33
NOTUM Q6P988 1/20 0.32
KCNMA1 Q12791 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
SCHEMBL1609897 0.81 MAPT (0.41) MEN1KMT2A
SCHEMBL3998980 0.76 NPC1 (0.30)
SCHEMBL1611886 0.76 ALDH1A1 (0.36) KDM4EMEN1KMT2ANOTUM
SCHEMBL1957347 0.75 ALDH1A1 (0.33) KDM4EMEN1KMT2A
SCHEMBL4007088 0.75 ALDH1A1 (0.34) KDM4EMEN1KMT2A
SCHEMBL472288 0.71 MAPT (0.37) MEN1KMT2A
SCHEMBL472625 0.71 LMNA (0.42)
SCHEMBL1610695 0.70 HTT (0.39)
SCHEMBL16680958 0.70 RXRA (0.40) XDHKDM4E
SCHEMBL472629 0.69 MAPT (0.34) MEN1KMT2A

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-2069338-A1 INSECTICIDAL ISOXAZOLINES Bayer CropScience AG (DE) 2009-06-17 EP disclosed
WO-2008019760-A1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2008-02-21 WO disclosed