SCHEMBL6179631

SCHEMBL6179631

O=C1CCC(Oc2ccc([N+](=O)[O-])cn2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 8/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSPB1 P04792 2/20 0.39
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ GABRA5 P31644 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ AGTR1 P30556 1/20 0.34
▸ BLM P54132 1/20 0.34

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
SCHEMBL20959453 0.73 MEN1 (0.46) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL30114540 0.72 HSPB1 (0.51) MEN1KMT2AL3MBTL1MAPTHSPB1
SCHEMBL28908019 0.72 HSPB1 (0.48) MEN1KMT2AL3MBTL1MAPTHSPB1
SCHEMBL1749145 0.70 HSPB1 (0.49) MEN1KMT2AL3MBTL1MAPTHSPB1
SCHEMBL3882524 0.70 HSPB1 (0.49) MEN1KMT2AL3MBTL1MAPTHSPB1
SCHEMBL6178732 0.69 HSPB1 (0.51) MEN1KMT2AL3MBTL1MAPTHSPB1
SCHEMBL2814281 0.68 MAPT (0.48) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL12094284 0.68 MAPT (0.48) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL6178724 0.67 HSPB1 (0.49) MEN1KMT2AL3MBTL1MAPTHSPB1
Ethylene SCHEMBL6179555 0.67 HSPB1 (0.49) MEN1KMT2AL3MBTL1MAPTHSPB1

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
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