SCHEMBL5497769

SCHEMBL5497769

CC(N)(C(=O)O)c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
DAO P14920 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PPARA Q07869 1/20 0.38
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL891551 1.00 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19LCKFYN
SCHEMBL10806885 0.82 LCK (0.43) CYP1A2CYP2D6LCKFYNDAO
SCHEMBL2791848 0.82 LCK (0.43) CYP1A2CYP2D6LCKFYNDAO
SCHEMBL27538928 0.80 CYP2E1 (0.46) CYP1A2CYP2D6CYP2C19NPC1RAB9A
SCHEMBL29226476 0.80 LCK (0.42) CYP1A2CYP2D6LCKFYNDAO
Hydrochloric Acid SCHEMBL9402271 0.80 LCK (0.42) CYP1A2CYP2D6LCKFYNDAO
SCHEMBL253783 0.80 LCK (0.42) CYP1A2CYP2D6LCKFYNDAO
SCHEMBL27677586 0.76 CYP1A2 (0.57) CYP1A2CYP2D6LCKFYNDAO
SCHEMBL14625255 0.76 LCK (0.38) CYP1A2CYP2C19LCKFYNDAO
SCHEMBL72501 0.75 CYP2C9 (0.45) CYP2D6LCKFYNDAONPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
EP-1399577-B1 METHOD FOR PRODUCING L-AMINO ACIDS SHOWA DENKO KK (JP) 2007-02-07 EP disclosed
US-20040248118-A1 Method for producing l-amino acids SHOWA DENKO K.K. (JP) 2004-12-09 US disclosed
EP-1399577-A1 METHOD FOR PRODUCING L-AMINO ACIDS Showa Denko K.K. (JP) 2004-03-24 EP disclosed
WO-2003000915-A1 METHOD FOR PRODUCING L-AMINO ACIDS SHOWA DENKO K.K. (JP) 2003-01-03 WO disclosed