SCHEMBL6681998

SCHEMBL6681998

CC(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 2/20 0.54
ALOX5 P09917 1/20 0.54
NPC1 O15118 1/20 0.54
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
CTSK P43235 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
NR3C2 P08235 1/20 0.44

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
SCHEMBL29586156 1.00 MAPT (0.54) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL10521250 0.86 MAPT (0.51) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL2238035 0.85 ALOX5 (0.55) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL2238030 0.85 ALOX5 (0.55) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL9255604 0.85 ALOX5 (0.55) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL9848797 0.84 MAPT (0.54) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL10093139 0.84 MAPT (0.51) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL9848801 0.84 MAPT (0.54) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL9848805 0.84 MAPT (0.54) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL6676599 0.84 MAPT (0.51) MAPTSMN1; SMN2RAB9AALOX5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
US-6369070-B1 Methods for inhibiting mrp1 ELI LILLY AND COMPANY 2002-04-09 US disclosed
EP-1067928-A4 METHODS FOR INHIBITING MRP1 LILLY CO ELI (US) 2001-11-14 EP disclosed
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN disclosed
EP-1067928-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-01-17 EP disclosed
WO-1999051228-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 1999-10-14 WO disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed