SCHEMBL5198536

SCHEMBL5198536

CNc1ccsc1CC(=O)COS(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.32
MAPK10 P53779 4/20 0.32
MAPK9 P45984 3/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL5196465 0.86 MAPK8 (0.31) MAPK8MAPK10MAPK9
SCHEMBL5196658 0.74 MAPK8 (0.39) MAPK8MAPK10MAPK9LMNAHPGD
Hydrochloric Acid SCHEMBL5196152 0.72 MAPK8 (0.38) MAPK8MAPK10MAPK9LMNAHPGD
SCHEMBL5197745 0.68 JAK3 (0.39) LMNAHTT
SCHEMBL7354141 0.65 USP2 (0.46) LMNATSHR
SCHEMBL5283509 0.61 ALOX5 (0.40)
SCHEMBL5198891 0.61 ALDH1A1 (0.35) HPGD
SCHEMBL23616663 0.60 KMT2A (0.38) MAPK8MAPK10MAPK9LMNAHPGD
SCHEMBL6580043 0.60 TDP1 (0.43) LMNATSHR
SCHEMBL5196821 0.59 FFAR1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868983-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2007-12-26 EP disclosed
WO-2006087166-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2006-08-24 WO disclosed