SCHEMBL2658375

SCHEMBL2658375

COCc1ccsc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.46
SLC6A1 P30531 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 1/20 0.43
AXL P30530 1/20 0.42
ABCC1 P33527 1/20 0.41
PTPN1 P18031 2/20 0.40
PTPRC P08575 2/20 0.40
PTPN2 P17706 1/20 0.40
GRIK1 P39086 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
LTB4R Q15722 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL12508090 0.87 SLC6A1 (0.43) KMT2ALMNASLC6A1MEN1CYP1A2
SCHEMBL3814101 0.84 CDK8 (0.43) KMT2ASLC6A1RAB9APOLBMEN1
SCHEMBL2065269 0.80 ABCC1 (0.50) KMT2ALMNAL3MBTL1RAB9AAXL
SCHEMBL8936259 0.77 SLC6A1 (0.51) KMT2ASLC6A1RAB9APTPN1PTPRC
SCHEMBL1401564 0.76 GPR35 (0.44) KMT2ALMNAL3MBTL1AXLABCC1
SCHEMBL5427346 0.76 ESR2 (0.43) KMT2ALMNAL3MBTL1RAB9AAXL
SCHEMBL10889896 0.76 LMNA (0.47) KMT2ALMNAL3MBTL1RAB9AAXL
SCHEMBL4398553 0.76 ABCC1 (0.46) KMT2ALMNAL3MBTL1RAB9AAXL
SCHEMBL26627942 0.76 ALDH1A1 (0.46) KMT2ALMNAL3MBTL1RAB9AAXL
SCHEMBL27580290 0.76 LMNA (0.47) KMT2ALMNAL3MBTL1RAB9AAXL

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-2244706-A1 GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-11-03 EP disclosed
WO-2009106203-A1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-09-03 WO disclosed