SCHEMBL6182486

SCHEMBL6182486

O=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.63
SRD5A2 P31213 2/20 0.58
MAPT P10636 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
GAA P10253 2/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
PPARG P37231 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
ALOX5 P09917 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL2651168 0.86 HSPB1 (0.72) HSPB1MAPTNPSR1RAB9AL3MBTL1
SCHEMBL3133445 0.84 HSPB1 (0.66) HSPB1SRD5A2MAPTNPSR1RAB9A
SCHEMBL22530046 0.83 HSPB1 (0.69) HSPB1MAPTNPSR1RAB9AL3MBTL1
SCHEMBL29349914 0.83 HSPB1 (0.69) HSPB1MAPTNPSR1RAB9AL3MBTL1
SCHEMBL20932230 0.83 HSPB1 (0.82) HSPB1SRD5A2MAPTNPSR1RAB9A
SCHEMBL1589998 0.82 HSPB1 (0.63) HSPB1MAPTNPSR1RAB9AL3MBTL1
SCHEMBL6179474 0.81 HSPB1 (0.61) HSPB1SRD5A2MAPTNPSR1RAB9A
SCHEMBL10466511 0.80 HSPB1 (0.73) HSPB1MAPTNPSR1RAB9AL3MBTL1
SCHEMBL5169540 0.80 HSPB1 (0.57) HSPB1SRD5A2MAPTNPSR1RAB9A
SCHEMBL5169525 0.80 HSPB1 (0.57) HSPB1SRD5A2MAPTNPSR1RAB9A

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