SCHEMBL578238

SCHEMBL578238

OB(O)c1c[nH]nc1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.41
PARP1 P09874 4/20 0.39
AR P10275 1/20 0.39
MPO P05164 1/20 0.39
HPGD P15428 4/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LTB4R Q15722 2/20 0.38
CALM1 P0DP23 1/20 0.37
TSHR P16473 1/20 0.36
LTA4H P09960 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ALPL P05186 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL1128624 0.80 HPGD (0.34) LIPEPARP1ARMPOHPGD
SCHEMBL7458172 0.77 PARP1 (0.45) PARP1ARMPOHPGDCYP2C9
SCHEMBL22547317 0.77 PARP1 (0.42) PARP1ARMPOHPGDCYP2C9
SCHEMBL27629487 0.74 PARP1 (0.43) PARP1ARMPOHPGDCYP2C9
SCHEMBL5775272 0.74 PARP1 (0.44) PARP1ARMPOHPGDCYP2C9
SCHEMBL5780286 0.74 PARP1 (0.44) PARP1ARMPOHPGDCYP2C9
SCHEMBL27364245 0.73 LMNA (0.46) PARP1ARHPGDCYP2C9ALDH1A1
SCHEMBL15565201 0.73 LTB4R (0.49) PARP1ARMPOHPGDCYP2C9
SCHEMBL4442119 0.73 PARP1 (0.42) PARP1ARMPOHPGDCYP2C9
SCHEMBL4017043 0.72 HCAR2 (0.45) PARP1ARHPGDCYP2C9ALDH1A1

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 5 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
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed