SCHEMBL6505258

SCHEMBL6505258

COC(=O)c1sc2cc(CC=NO)ccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
MAPK1 P28482 2/20 0.35
GLA P06280 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 4/20 0.33
GAA P10253 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX5 P09917 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 3/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK14 Q16539 1/20 0.31
ESR1 P03372 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
SCHEMBL6505261 0.83 MAPT (0.39) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4118818 0.82 PTPN1 (0.39) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4132097 0.81 KDM4E (0.36) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4132094 0.81 KDM4E (0.36) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4131053 0.81 SMN1; SMN2 (0.43) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4121844 0.80 MAPT (0.38) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL6396937 0.79 KDM4E (0.35) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4126482 0.79 KDM4E (0.41) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4119302 0.78 LIPG (0.42) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4131737 0.78 L3MBTL1 (0.41) MAPTKDM4EALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed