SCHEMBL7096815

SCHEMBL7096815

c1ccc(Oc2ccnc(-n3cccn3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 2/20 0.56
GLA P06280 1/20 0.56
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALKBH1 Q13686 1/20 0.39
PLK4 O00444 1/20 0.38
ALDH1A1 P00352 6/20 0.38
ADORA2A P29274 3/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
LOX P28300 1/20 0.37
MAP4K4 O95819 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL24920801 0.80 HCRTR1 (0.40) NPC1SMN1; SMN2RAB9AGLAHTT
SCHEMBL10672705 0.76 NPC1 (0.63) NPC1SMN1; SMN2RAB9AGLAMAPK1
SCHEMBL9520789 0.72 KDM4E (0.50) NPC1SMN1; SMN2RAB9AGLAHTT
SCHEMBL3404328 0.72 ALDH1A1 (0.46) NPC1HTTMAPK1MAPTNPSR1
SCHEMBL9522671 0.72 SMN1; SMN2 (1.00) NPC1SMN1; SMN2RAB9AGLAHTT
SCHEMBL27739303 0.71 PLK4 (0.62) HTTMAPTNPSR1PLK4ALDH1A1
SCHEMBL8363953 0.70 ADORA2A (0.44) NPC1HTTMAPK1MAPTNPSR1
SCHEMBL27904488 0.70 ADORA2A (0.47) NPC1HTTMAPK1MAPTNPSR1
SCHEMBL7008972 0.70 NOTUM (0.56) NPC1SMN1; SMN2RAB9AGLAMAPK1
SCHEMBL22645028 0.70 ADORA2A (0.40) NPC1HTTMAPK1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP disclosed
EP-0819690-B1 Herbicidal 6-thienyl and 4-thienyl pyrimidines BASF AG (DE) 2002-10-09 EP disclosed
US-6066597-A Herbicidal 2-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxypyrimidines AMERICAN CYANAMID COMPANY (US) 2000-05-23 US disclosed
US-6008161-A Herbicidal 2-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero) aryloxypyrimidines AMERICAN CYANAMID COMPANY (US) 1999-12-28 US disclosed
US-5922726-A Herbicidal 6-thienyl pyridines and 4-thienyl pyrimidines AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
US-5849758-A Herbicidal 2, 6-disubstituted pyridines and 2, 4-disubstituted pyrimidines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
US-5824624-A HERBICIDES WITH CARRIERS OR SURFACTANTS AMERICAN CYANAMID COMPANY (US) 1998-10-20 US disclosed
US-5747423-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1998-05-05 US disclosed
EP-0823431-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1998-02-11 EP disclosed
EP-0819690-A2 Herbicidal 6-thienyl and 4-thienyl pyrimidines American Cyanamid Company (US) 1998-01-21 EP disclosed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP disclosed