SCHEMBL6178591

SCHEMBL6178591

O=C1CCCCc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.53
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 6/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 2/20 0.41
ALOX12 P18054 1/20 0.40
PPARG P37231 1/20 0.40
BLM P54132 1/20 0.38

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
SCHEMBL6179822 0.93 HSPB1 (0.55) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL6179471 0.88 HSPB1 (0.53) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL6177986 0.84 HSPB1 (0.59) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL6176329 0.81 KDM4E (0.50) ALDH1A1MEN1KMT2AMAOAMAOB
SCHEMBL2246184 0.77 PTPRC (0.50) GAAMAPTLMNAALDH1A1MEN1
SCHEMBL10624261 0.75 THRB (0.51) MAPTNPSR1LMNAMAOAMAOB
SCHEMBL3656583 0.75 HSPB1 (0.54) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL20932230 0.75 HSPB1 (0.82) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL398342 0.74 PTPRC (0.50) GAAMAPTNPSR1LMNAALDH1A1
SCHEMBL26151031 0.73 HSPB1 (0.65) HSPB1GAAL3MBTL1MAPTNPSR1

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