SCHEMBL6178732

SCHEMBL6178732

O=C1CCc2c(Oc3ccc([N+](=O)[O-])cn3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 8/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
BRAF P15056 1/20 0.41
BLM P54132 1/20 0.41
RGS12 O14924 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PABPC1 P11940 1/20 0.39
POLB P06746 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
Ethylene SCHEMBL6179555 0.98 HSPB1 (0.49) HSPB1L3MBTL1MEN1KMT2AGAA
SCHEMBL6178724 0.93 HSPB1 (0.49) HSPB1L3MBTL1MEN1KMT2AGAA
SCHEMBL6182178 0.80 KEAP1 (0.51) MEN1KMT2AALDH1A1HPGDBRAF
SCHEMBL6178485 0.79 HSPB1 (0.52) HSPB1L3MBTL1MEN1KMT2AGAA
SCHEMBL6181901 0.79 HSPB1 (0.52) HSPB1L3MBTL1MEN1KMT2AGAA
Ethylene SCHEMBL6177711 0.78 KEAP1 (0.49) MEN1KMT2AALDH1A1HPGDBRAF
SCHEMBL6178103 0.78 ALDH1A1 (0.47) L3MBTL1GAAALDH1A1HPGDBRAF
SCHEMBL3062661 0.77 HSPB1 (0.50) HSPB1L3MBTL1MEN1KMT2AGAA
SCHEMBL3631886 0.77 KMT2A (0.53) L3MBTL1MEN1KMT2AGAAMAPT
SCHEMBL6179126 0.77 MRGPRX4 (0.47) L3MBTL1GAAMAPTLMNAALDH1A1

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