SCHEMBL5196658

SCHEMBL5196658

CNc1ccsc1CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.39
MAPK10 P53779 7/20 0.39
PTK2 Q05397 1/20 0.35
ABCC1 P33527 1/20 0.35
MAPK9 P45984 4/20 0.34
HTT P42858 2/20 0.33
ALOX5 P09917 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
Hydrochloric Acid SCHEMBL5196152 0.98 MAPK8 (0.38) MAPK8MAPK10PTK2ABCC1MAPK9
SCHEMBL12451748 0.75 KMT2A (0.46) MAPK8MAPK10MAPK9LMNAKMT2A
SCHEMBL5198536 0.74 MAPK8 (0.32) MAPK8MAPK10MAPK9HTTLMNA
SCHEMBL4574859 0.73 ALDH1A1 (0.41) MAPK8HTTALOX5KMT2ANPC1
SCHEMBL28981221 0.73 ALOX5 (0.35) MAPK8MAPK10PTK2HTTALOX5
Hydrochloric Acid SCHEMBL3623037 0.69 ALOX5 (0.36) MAPK8MAPK10HTTALOX5LMNA
SCHEMBL3580345 0.67 PTPN2 (0.61) MAPK8MAPK10ABCC1LMNAHPGD
SCHEMBL28271002 0.67 PTK2 (0.42) MAPK8MAPK10PTK2ABCC1HTT
SCHEMBL23616663 0.66 KMT2A (0.38) MAPK8MAPK10ABCC1MAPK9HTT
SCHEMBL28311905 0.66 ALOX5 (0.30) ALOX5

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