SCHEMBL6681877

SCHEMBL6681877

COc1ccc([N+](=O)[O-])cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
HTT P42858 3/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6678300 0.88 MEN1 (0.51) GNRHRMMP1MMP2MMP9MMP8
SCHEMBL6676086 0.88 NPBWR1 (0.54) GNRHRALDH1A1MAPTHTTMEN1
SCHEMBL27767702 0.87 ALOX5 (0.44) GNRHRMMP1MMP2MMP9MMP8
SCHEMBL12227518 0.87 CYP19A1 (0.46) GNRHRMMP1MMP2MMP9MMP8
SCHEMBL12330621 0.85 ALOX5 (0.48) GNRHRALDH1A1MAPTHTTGAA
SCHEMBL5413213 0.84 MEN1 (0.52) MAPTMEN1KMT2AALOX5SMN1; SMN2
SCHEMBL2858710 0.84 ALOX5 (0.47) MMP1MMP2MMP9MMP8MMP13
SCHEMBL399470 0.84 ALOX5 (0.47) MMP1MMP2MMP9MMP8MMP13
SCHEMBL4856346 0.83 HTT (0.53) ALDH1A1MAPTHTTGAAPKM
SCHEMBL4610695 0.82 ALDH1A1 (0.46) ALDH1A1MAPTHTTTDP1MEN1

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