SCHEMBL6178978

SCHEMBL6178978

N#Cc1ccc(Oc2cccc3c2CCC3=O)nc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.44
FEN1 P39748 3/20 0.44
BRAF P15056 2/20 0.42
ABCB1 P08183 2/20 0.37
HSD11B1 P28845 3/20 0.37
PDE4B Q07343 1/20 0.36
OPRM1 P35372 1/20 0.36
HSD11B2 P80365 1/20 0.35
SCN9A Q15858 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP11B2 P19099 1/20 0.34
GABRA5 P31644 1/20 0.34
HPGDS O60760 1/20 0.33
MAOB P27338 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL388474 0.83 ALOX5AP (0.39) ALOX5APFEN1HSD11B1PDE4BOPRM1
SCHEMBL6182178 0.81 KEAP1 (0.51) ALOX5APFEN1BRAFABCB1
Ethylene SCHEMBL6177711 0.79 KEAP1 (0.49) ALOX5APFEN1BRAFABCB1
SCHEMBL6178103 0.79 ALDH1A1 (0.47) BRAFABCB1
SCHEMBL6179126 0.78 MRGPRX4 (0.47) ALOX5APFEN1BRAFABCB1HRH3
SCHEMBL3631886 0.78 KMT2A (0.53) BRAF
SCHEMBL385379 0.77 NNMT (0.46) BRAFABCB1OPRM1HRH3
SCHEMBL6178732 0.77 HSPB1 (0.51) BRAFABCB1
Ethylene SCHEMBL6179555 0.75 HSPB1 (0.49) BRAFABCB1GABRA5
SCHEMBL6177792 0.73 KEAP1 (0.52) ALOX5APFEN1BRAFABCB1

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