SCHEMBL6181901

SCHEMBL6181901

O=[N+]([O-])c1ccc(Oc2cccc3c2CCC3)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.52
MAPT P10636 8/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PABPC1 P11940 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.39
RGS12 O14924 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6178485 0.97 HSPB1 (0.52) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL6178724 0.84 HSPB1 (0.49) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL6177671 0.81 HSPB1 (0.53) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL6178732 0.79 HSPB1 (0.51) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL3062661 0.78 HSPB1 (0.50) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL6178803 0.78 KEAP1 (0.57) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL10963407 0.78 HSPB1 (0.47) HSPB1MAPTNPSR1ALDH1A1LMNA
Ethylene SCHEMBL6179555 0.77 HSPB1 (0.49) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL9900322 0.77 HSPB1 (0.46) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL1978695 0.76 KEAP1 (0.59) HSPB1MAPTNPSR1L3MBTL1GAA

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