SCHEMBL11275692

SCHEMBL11275692

CN(c1ccc(O)cc1)c1nc2ccccc2nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
TDP1 Q9NUW8 1/20 0.44
EGFR P00533 3/20 0.43
PDGFRB P09619 3/20 0.43
KDR P35968 3/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
MMP13 P45452 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11270290 0.86 PTGS2 (0.39) KMT2AMEN1EGFRPDGFRBKDR
SCHEMBL3121157 0.77 EGFR (0.71) EGFRPDGFRBKDRPDE5A
SCHEMBL12410039 0.75 TDP1 (0.58) KMT2AMEN1TDP1LMNAMAPT
SCHEMBL3116107 0.74 EGFR (0.49) EGFRPDGFRBKDRPDE5A
Hydrochloric Acid SCHEMBL3106148 0.73 PDE5A (0.50) EGFRPDGFRBKDRPDE5A
SCHEMBL11099340 0.72 GRIA1 (0.43) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL3120940 0.72 EGFR (0.70) EGFRPDGFRBKDRPDE5A
SCHEMBL3110635 0.71 PDE5A (0.49) EGFRPDGFRBKDRPDE5A
SCHEMBL18088097 0.70 EGFR (0.77) EGFRPDGFRBKDRGAA
SCHEMBL7327853 0.69 KMT2A (0.51) KMT2AMEN1TDP1TSHRSMN1; SMN2

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