SCHEMBL6163411

SCHEMBL6163411

CC(O)Nc1ccc([N+](=O)[O-])cc1NC(C)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP19A1 P11511 1/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL5517557 0.87 CXCR2 (0.50) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL6156984 0.87 CRHBP (0.65) SMN1; SMN2ALDH1A1MAPTHTTTDP1
SCHEMBL11788134 0.87 ALDH1A1 (0.56) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL11645653 0.87 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL125017 0.85 MAPT (0.55) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL124625 0.83 HTT (0.63) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL124120 0.82 CYP19A1 (0.54) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL9877920 0.81 CYP19A1 (0.44) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL14940853 0.79 CYP19A1 (0.50) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL28026309 0.77 TSHR (0.67) SMN1; SMN2LMNAALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2579841-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'Oréal (FR) 2013-04-17 EP disclosed
WO-2011154458-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'OREAL (FR) 2011-12-15 WO disclosed
EP-0531738-B2 Two-pack type keratinous fiber treating composition KAO CORP (JP) 2005-02-16 EP disclosed
US-5750099-A Two-pack type keratinous fiber treating composition KAO CORPORATION (JP) 1998-05-12 US disclosed
EP-0503507-B1 Dye composition for keratinous fibers KAO CORP (JP) 1997-07-23 EP disclosed
EP-0531738-B1 Two-pack type keratinous fiber treating composition KAO CORP (JP) 1996-11-13 EP disclosed
EP-0547790-B1 Dye composition for Keratinous fibers KAO CORP (JP) 1995-08-23 EP disclosed
EP-0547790-A1 Dye composition for Keratinous fibers Kao Corporation (JP) 1993-06-23 EP disclosed
EP-0531738-A2 Two-pack type keratinous fiber treating composition KAO CORPORATION (JP) 1993-03-17 EP disclosed
EP-0503507-A1 Dye composition for keratinous fibers Kao Corporation (JP) 1992-09-16 EP disclosed