SCHEMBL27945708

SCHEMBL27945708

COc1ccc(COC(=O)c2ccccn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.73
ALDH1A1 P00352 2/20 0.67
NPSR1 Q6W5P4 1/20 0.61
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CDK5 Q00535 2/20 0.57
PAX8 Q06710 2/20 0.57
CDK5R1 Q15078 2/20 0.57
HPGD P15428 1/20 0.57
ALPL P05186 1/20 0.56
MAPT P10636 4/20 0.56
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MMP9 P14780 2/20 0.51
POLB P06746 1/20 0.51
MMP1 P03956 1/20 0.51

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
SCHEMBL30711263 0.85 PKM (0.71) PKMALDH1A1NPSR1RAB9AHPGD
SCHEMBL2706447 0.85 PKM (0.71) PKMALDH1A1NPSR1RAB9AHPGD
SCHEMBL1551668 0.83 PKM (0.69) PKMALDH1A1NPSR1RAB9AHPGD
Hydrochloric Acid SCHEMBL28329265 0.83 PKM (0.69) PKMALDH1A1NPSR1RAB9AHPGD
SCHEMBL28289255 0.82 PKM (0.68) PKMALDH1A1NPSR1RAB9ANPC1
SCHEMBL31538126 0.80 ALDH1A1 (0.57) PKMALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL38661938 0.79 SMN1; SMN2 (0.63) PKMALDH1A1NPSR1RAB9ANPC1
SCHEMBL5232062 0.79 SMN1; SMN2 (0.63) PKMALDH1A1NPSR1RAB9ANPC1
SCHEMBL24360100 0.79 PKM (0.53) PKMALDH1A1NPSR1RAB9ASMN1; SMN2
SCHEMBL22501378 0.79 MMP9 (0.53) PKMALDH1A1RAB9ANPC1SMN1; 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
CN-103442570-B The alkyl aryl of 4-amino-6-(phenyl of replacement) pyridine-2-formic acid and 6-amino-2-(phenyl of the replacement)-alkyl aryl of pyrimidine-4-formic acid and the purposes as weedicide thereof DOW AGROSCIENCES LLC (US) 2016-01-13 CN disclosed
CN-103442570-A Arylalkyl esters of 4-mino-6-(substituted phenyl)picolinates, arylalkyl esters of 6-amino-2-(substituted phenyl)-4-pyrimidinecarboxylates, and applications thereof as herbicides DOW AGROSCIENCES LLC 2013-12-11 CN disclosed