SCHEMBL577597

SCHEMBL577597

COc1ccc(CC=O)c(N)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 1/20 0.34
S1PR4 O95977 1/20 0.34
HSP90AA1 P07900 1/20 0.34
G6PD P11413 1/20 0.34
S1PR1 P21453 1/20 0.34
OPRK1 P41145 1/20 0.34
RAB9A P51151 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TLR9 Q9NR96 1/20 0.34
CYP1A2 P05177 2/20 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
SCHEMBL6244440 0.84 ALDH1A1 (0.41) MAPTMAPK1HTTTSHRALDH1A1
SCHEMBL3637221 0.83 MAPT (0.36) MAPTMAPK1HTTTSHRALDH1A1
SCHEMBL578043 0.81 ALDH1A1 (0.41) MAPTMAPK1HTTTSHRGAA
SCHEMBL3373488 0.81
SCHEMBL577619 0.80 ALDH1A1 (0.37) MAPTMAPK1HTTTSHRGAA
SCHEMBL21822829 0.80 ERN1 (0.39) MAPTMAPK1HTTTSHRALDH1A1
SCHEMBL10679524 0.78 SLC2A1 (0.46) TSHRALDH1A1KDM4ECYP1A2POLB
SCHEMBL27895010 0.77 HSD17B10 (0.38) MAPTMAPK1HTTTSHRGAA
SCHEMBL587268 0.76 ATP4A (0.48) MAPTGAAALDH1A1KDM4E
SCHEMBL26654610 0.76 ALDH1A1 (0.42) ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012109398-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 WO disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
EP-2250174-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed