SCHEMBL6676599

SCHEMBL6676599

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALOX5 P09917 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
CYP26A1 O43174 1/20 0.47
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
GAA P10253 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL9848797 0.91 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL9848801 0.91 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL31226878 0.91 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL9848805 0.91 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL28706418 0.89 MAPT (0.53) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL27848522 0.89 MAPT (0.50) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL1374453 0.88 CYP26A1 (0.60) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL16199337 0.88 CYP26A1 (0.60) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL666435 0.88 MAPT (0.49) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL9848816 0.88 CYP26A1 (0.60) MAPTSMN1; SMN2ALOX5NPC1RAB9A

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 3 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
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed