SCHEMBL11270290

SCHEMBL11270290

CN(c1ccc(O)cc1)c1nc2cc(Cl)c(Cl)cc2nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
GLP1R P43220 3/20 0.39
NQO2 P16083 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
MMP13 P45452 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11275692 0.86 KMT2A (0.47) PTGS2MEN1KMT2AHSD17B10NPC1
SCHEMBL11263115 0.76 PTGS2 (0.37) PTGS2NQO2MEN1KMT2AHSD17B10
SCHEMBL11269831 0.72 GAA (0.44) GLP1RMEN1KMT2ALMNAMAPT
SCHEMBL11435307 0.70 MAPK1 (0.46) PTGS2MEN1KMT2ALMNAMAPT
SCHEMBL3121157 0.67 EGFR (0.71) EGFRPDGFRBKDR
SCHEMBL926427 0.66 APP (0.52) PTGS2MEN1KMT2AHSD17B10NPC1
SCHEMBL16698000 0.66 PTGS2 (0.44) PTGS2MEN1KMT2AHSD17B10NPC1
SCHEMBL11160853 0.66 PTGS2 (0.54) PTGS2HSD17B10NPC1LMNAHPGD
SCHEMBL12589727 0.66 NPC1 (0.45) PTGS2MEN1KMT2AHSD17B10NPC1
SCHEMBL10730866 0.65 CSF1R (0.59) MAPTEGFRPDGFRBKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4358307-A PREFERENTIAL CONTROLLING OF MONOCOTYLEDONS IN CROPS ICI AUSTRALIA LIMITED (AU) 1982-11-09 US disclosed
EP-0026622-A2 Quinoxalinylaminophenoxyalkane carboxylic acid derivatives, their preparation, their use as herbicides and intermediates ICI AUSTRALIA LIMITED (AU) 1981-04-08 EP disclosed