SCHEMBL18156554

SCHEMBL18156554

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.42
P2RX1 P51575 3/20 0.41
RXFP1 Q9HBX9 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 3/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HDAC1 Q13547 2/20 0.36
CRBN Q96SW2 1/20 0.35
FADS1 O60427 2/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 1/20 0.33
UGCG Q16739 1/20 0.33
HPGD P15428 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
SCHEMBL1766487 0.88 PTGS1 (0.43) PTGS1P2RX1RXFP1NPC1RAB9A
SCHEMBL18156586 0.86 PTGS1 (0.42) PTGS1P2RX1RXFP1HDAC1CRBN
SCHEMBL18156544 0.84 RXFP1 (0.35) P2RX1RXFP1KDM4EP2RX7ALDH1A1
SCHEMBL18156541 0.82 RXFP1 (0.48) RXFP1
SCHEMBL18156558 0.81 PTGS1 (0.41) PTGS1P2RX1RXFP1CRBNP2RX7
SCHEMBL29549892 0.81 PTGS1 (0.42) PTGS1P2RX1RXFP1NPC1RAB9A
SCHEMBL22497580 0.81 PTGS1 (0.40) PTGS1P2RX1RXFP1NPC1RAB9A
SCHEMBL1767085 0.81 PTGS1 (0.42) PTGS1P2RX1RXFP1NPC1RAB9A
SCHEMBL24963640 0.80 KDM4E (0.45) PTGS1P2RX1RXFP1RAB9AKDM4E
SCHEMBL20839537 0.78 RXFP1 (0.39) PTGS1P2RX1RXFP1

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