SCHEMBL18156591

SCHEMBL18156591

CC(F)(c1cc(Br)c(NC(=O)c2cccc(N=O)c2Cl)c(C(F)(F)C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 5/20 0.33
PDK2 Q15119 5/20 0.33
PDK3 Q15120 5/20 0.33
PDK4 Q16654 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RORC P51449 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KCNJ11 Q14654 1/20 0.31
P2RX1 P51575 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
CTSS P25774 3/20 0.31
TRPV1 Q8NER1 1/20 0.31
F2R P25116 1/20 0.30
CTSK P43235 2/20 0.30

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
SCHEMBL12659241 0.90 SMN1; SMN2 (0.33) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL18156559 0.89 RXFP1 (0.32) SMN1; SMN2RXFP1KCNJ11P2RX1P2RX7
SCHEMBL12649004 0.83 SMN1; SMN2 (0.37) SMN1; SMN2RORCRXFP1P2RX1P2RX4
SCHEMBL18156555 0.82 TRPV1 (0.36) PDK1PDK2PDK3PDK4RORC
SCHEMBL12659194 0.81 SMN1; SMN2 (0.36) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL18156582 0.81 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ARXFP1P2RX1
SCHEMBL19240551 0.79 SMN1; SMN2 (0.33) SMN1; SMN2RXFP1P2RX1P2RX7F2R
SCHEMBL12649006 0.79 SMN1; SMN2 (0.34) SMN1; SMN2RORCNPC1HPGDRAB9A
SCHEMBL21727444 0.77 PDK1 (0.39) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL12440629 0.74 P2RX1 (0.38) PDK1PDK2PDK3PDK4RXFP1

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