SCHEMBL13893296

SCHEMBL13893296

C=C(OCC)c1c(N)nc(-c2ccc(I)c(OC)c2F)nc1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
TP53 P04637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 6/20 0.32
KMT2A Q03164 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 3/20 0.32
PRKCZ Q05513 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
MAPK10 P53779 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GRM6 O15303 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL718835 0.89 KDM4E (0.35) RAB9ATP53KDM4EHSD17B10MAPT
SCHEMBL719674 0.84 RAB9A (0.35) RAB9ATP53KDM4EHSD17B10MAPT
SCHEMBL720342 0.80 TP53 (0.34) RAB9ATP53KDM4EHSD17B10KMT2A
SCHEMBL10286220 0.80 ALDH1A1 (0.36) RAB9ATP53KDM4EHSD17B10MAPT
SCHEMBL16127118 0.77 KDM4E (0.32) RAB9AKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL29556168 0.77 KDM4E (0.33) RAB9AKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL16038100 0.77 KDM4E (0.33) RAB9AKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL12558646 0.77 ALOX5AP (0.30)
SCHEMBL10252070 0.76 RAB9A (0.49) RAB9ATP53KDM4EHSD17B10MAPT
SCHEMBL10255571 0.76 KDM4E (0.39) RAB9ATP53KDM4EHSD17B10KMT2A

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-2009046090-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3- ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-04-09 WO disclosed