SCHEMBL7245271

SCHEMBL7245271

CC(C)(C)OC(=O)NC1(c2cccc([N+](=O)[O-])c2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALOX5 P09917 1/20 0.50
NR3C2 P08235 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
LMNA P02545 4/20 0.40
KDM1A O60341 1/20 0.40
SLC6A4 P31645 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6678010 0.98 RAB9A (0.50) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL6677984 0.97 RAB9A (0.49) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL6679370 0.95 MAPT (0.52) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL10155681 0.85 LMNA (0.44) MAPTSMN1; SMN2LMNAKDM1ASLC6A4
SCHEMBL17109514 0.85 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL30749314 0.81 AKT1 (0.40) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL27223610 0.81 AKT1 (0.40) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL30749325 0.81 AKT1 (0.43) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL6678166 0.81 AKT1 (0.39) CYP2C19ALDH1A1
SCHEMBL4093183 0.80 MAPT (0.45) MAPTNPC1RAB9ASMN1; SMN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN 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