SCHEMBL13508178

SCHEMBL13508178

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)F)c1NC(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.45
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MAPT P10636 6/20 0.43
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
LMNA P02545 4/20 0.42
MAPK1 P28482 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 2/20 0.42
MCL1 Q07820 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
WDR5 P61964 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL3211887 0.92 IRAK4 (0.49) IRAK4AKR1C2AKR1C1MAPTMEN1
SCHEMBL29740331 0.89 AKR1C2 (0.48) IRAK4AKR1C2AKR1C1MAPTMEN1
SCHEMBL29740333 0.89 AKR1C2 (0.48) IRAK4AKR1C2AKR1C1MAPTMEN1
SCHEMBL1766512 0.89 AKR1C2 (0.48) IRAK4AKR1C2AKR1C1MAPTMEN1
SCHEMBL1275543 0.87 IRAK4 (0.45) IRAK4AKR1C2AKR1C1MAPTMEN1
SCHEMBL28795297 0.83 AKR1C2 (0.53) IRAK4AKR1C2AKR1C1MAPTMEN1
SCHEMBL13508307 0.83 PTGS1 (0.39) MAPTMEN1KMT2ARAB9ANPSR1
SCHEMBL13508209 0.82 ABCC9 (0.54) IRAK4MAPTMEN1KMT2ALMNA
SCHEMBL12439877 0.81 P2RX1 (0.47) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL3211594 0.79 HCAR3 (0.52) MAPTMEN1KMT2ALMNAMAPK1

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-2010018714-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT 三井化学アグロ株式会社 (JP) 2010-02-18 WO disclosed