SCHEMBL6179822

SCHEMBL6179822

O=C1CCc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.55
MAPT P10636 6/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 4/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.45
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRAF P15056 1/20 0.41
BAZ1A Q9NRL2 1/20 0.41
PPARG P37231 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
ALOX12 P18054 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
SCHEMBL6178591 0.93 HSPB1 (0.53) HSPB1MAPTNPSR1LMNAALDH1A1
SCHEMBL6179471 0.83 HSPB1 (0.53) HSPB1MAPTNPSR1LMNAALDH1A1
SCHEMBL6177986 0.81 HSPB1 (0.59) HSPB1MAPTNPSR1LMNAALDH1A1
SCHEMBL6180267 0.80 KDM4E (0.52) ALDH1A1MEN1KMT2ARAB9ABRAF
SCHEMBL3656583 0.77 HSPB1 (0.54) HSPB1MAPTNPSR1LMNAALDH1A1
SCHEMBL20932230 0.77 HSPB1 (0.82) HSPB1MAPTNPSR1LMNAALDH1A1
SCHEMBL388369 0.76 HRH3 (0.56) HRH3
SCHEMBL3484395 0.76 PDE7A (0.57) HSPB1MAPTNPSR1LMNAALDH1A1
SCHEMBL30954730 0.75 BAZ1A (0.58) MAPTLMNAALDH1A1GAAHPGD
SCHEMBL568785 0.75 BAZ1A (0.58) MAPTLMNAALDH1A1GAAHPGD

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