SCHEMBL6177986

SCHEMBL6177986

O=[N+]([O-])c1ccc(Oc2ccc3c(c2)CCC3)nc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.59
MAPT P10636 5/20 0.54
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 6/20 0.43
PPARG P37231 1/20 0.43
HRH1 P35367 1/20 0.43
ALOX12 P18054 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
SCHEMBL6179471 0.87 HSPB1 (0.53) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL3100124 0.84 HRH3 (0.66) HRH3HRH1
SCHEMBL6178591 0.84 HSPB1 (0.53) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL6179822 0.81 HSPB1 (0.55) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL3056658 0.80 HSPB1 (0.54) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL3656583 0.80 HSPB1 (0.54) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL20932230 0.80 HSPB1 (0.82) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL4362202 0.79 HSPB1 (0.47) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL5408393 0.79 HSPB1 (0.53) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL26151031 0.78 HSPB1 (0.65) HSPB1MAPTNPSR1GAAL3MBTL1

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
EP-1066261-B1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 2005-11-23 EP disclosed
US-6511995-B1 Inhibits collagen synthesis, which is useful for prophylaxis or treatment of fibrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-01-28 US disclosed
EP-1066261-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed
WO-1999048871-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-09-30 WO disclosed