SCHEMBL13508340

SCHEMBL13508340

Nc1ccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c(F)c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
P2RX1 P51575 1/20 0.34
MAPT P10636 2/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PTGS1 P23219 3/20 0.33
TMPRSS4 Q9NRS4 2/20 0.32
CES2 O00748 1/20 0.32
AVPR2 P30518 1/20 0.32
GPR27 Q9NS67 1/20 0.32
AR P10275 1/20 0.31
CFTR P13569 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL13508241 0.92 SMN1; SMN2 (0.35) SMN1; SMN2P2RX1MAPTXBP1NPSR1
SCHEMBL1766505 0.87 PTGS1 (0.42) SMN1; SMN2P2RX1MAPTXBP1NPSR1
SCHEMBL29615074 0.87 PTGS1 (0.42) SMN1; SMN2P2RX1MAPTXBP1NPSR1
SCHEMBL1766498 0.87 AR (0.36) SMN1; SMN2AR
SCHEMBL13456027 0.82 P2RX1 (0.35) P2RX1MAPTPTGS1CFTRMEN1
SCHEMBL12649015 0.81 MAPT (0.43) MAPTXBP1NPSR1PTGS1MEN1
SCHEMBL1766799 0.81 AR (0.38) SMN1; SMN2MAPTXBP1NPSR1TMPRSS4
SCHEMBL12648817 0.81 KCNQ3 (0.41) SMN1; SMN2MAPTXBP1NPSR1PTGS1
SCHEMBL23284405 0.80 PTGS1 (0.42) SMN1; SMN2P2RX1PTGS1MEN1KMT2A
SCHEMBL15242258 0.80 P2RX1 (0.41) SMN1; SMN2P2RX1MAPTPTGS1MEN1

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