SCHEMBL18156586

SCHEMBL18156586

CC(F)(c1cc(Br)c(NC(=O)c2cccc(N)c2F)c(Br)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.42
P2RX1 P51575 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CRBN Q96SW2 1/20 0.35
F2R P25116 1/20 0.35
FADS1 O60427 2/20 0.34
HDAC1 Q13547 2/20 0.34
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
UGCG Q16739 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL18156558 0.92 PTGS1 (0.41) PTGS1P2RX1SMN1; SMN2RXFP1CRBN
SCHEMBL1767173 0.88 PTGS1 (0.43) PTGS1P2RX1SMN1; SMN2RXFP1CRBN
SCHEMBL18156554 0.86 PTGS1 (0.42) PTGS1P2RX1RXFP1CRBNFADS1
SCHEMBL1766729 0.85 PTGS1 (0.41) PTGS1P2RX1SMN1; SMN2RXFP1CRBN
SCHEMBL18156582 0.84 SMN1; SMN2 (0.35) P2RX1SMN1; SMN2RXFP1F2RP2RX7
SCHEMBL31175820 0.84 PTGS1 (0.40) PTGS1P2RX1SMN1; SMN2RXFP1CRBN
SCHEMBL29265439 0.83 PTGS1 (0.42) PTGS1P2RX1SMN1; SMN2RXFP1CRBN
SCHEMBL22497580 0.81 PTGS1 (0.40) PTGS1P2RX1SMN1; SMN2RXFP1CRBN
SCHEMBL29615074 0.81 PTGS1 (0.42) PTGS1P2RX1SMN1; SMN2RXFP1CRBN
SCHEMBL16155678 0.81 FADS1 (0.40) PTGS1P2RX1SMN1; SMN2RXFP1FADS1

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
EP-3081552-A1 PEST CONTROL AGENT CONTAINING AN AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT Mitsui Chemicals Agro, Inc. (JP) 2016-10-19 EP disclosed