SCHEMBL10140570

SCHEMBL10140570

CCC(=O)C(c1csc2ccccc12)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 1/20 0.42
PKM P14618 1/20 0.40
CYP2A6 P11509 1/20 0.39
MAPT P10636 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 2/20 0.38

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
SCHEMBL19334127 0.87 ALOX5 (0.46) ALOX5SLC6A2SLC6A4SLC6A3PKM
SCHEMBL753986 0.84 ALOX5 (0.54) ALOX5SLC6A2SLC6A4SLC6A3PKM
SCHEMBL890208 0.84 ALOX5 (0.54) ALOX5SLC6A2SLC6A4SLC6A3PKM
SCHEMBL13179223 0.81 ALOX5 (0.46) ALOX5SLC6A2SLC6A4SLC6A3PKM
SCHEMBL888871 0.81 ALOX5 (0.55) ALOX5SLC6A2SLC6A4SLC6A3PKM
SCHEMBL8911009 0.80 ALOX5 (0.50) ALOX5SLC6A2SLC6A4SLC6A3PKM
SCHEMBL10140640 0.75 AOC3 (0.42) ALOX5CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL16919015 0.74 ALOX5 (0.50) ALOX5SLC6A2SLC6A4SLC6A3PKM
SCHEMBL1696295 0.74 ALOX5 (0.50) ALOX5SLC6A2SLC6A4SLC6A3PKM
SCHEMBL5469039 0.72 ALOX5 (0.50) ALOX5SLC6A2SLC6A4SLC6A3PKM

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-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed