SCHEMBL22811005

SCHEMBL22811005

CSC(=O)c1cccc(N2CCOCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.68
PLOD2 O00469 2/20 0.55
PLOD3 O60568 2/20 0.55
PLOD1 Q02809 2/20 0.55
MAPT P10636 7/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PRKDC P78527 2/20 0.49
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL13724478 0.83 KMO (0.74) KMOPLOD2PLOD3PLOD1MAPT
SCHEMBL30634127 0.81 KMO (1.00) KMOPLOD2PLOD3PLOD1MAPT
SCHEMBL65857 0.81 KMO (1.00) KMOPLOD2PLOD3PLOD1MAPT
SCHEMBL303084 0.81 KMO (0.77) KMOPLOD2PLOD3PLOD1MAPT
SCHEMBL4251811 0.80 KMO (0.74) KMOPLOD2PLOD3PLOD1MAPT
Hydrochloric Acid SCHEMBL14742166 0.80 KMO (0.74) KMOPLOD2PLOD3PLOD1MAPT
SCHEMBL3831932 0.79 KMO (0.68) KMOPLOD2PLOD3PLOD1MAPT
SCHEMBL4250883 0.79 KMO (0.68) KMOPLOD2PLOD3PLOD1MAPT
SCHEMBL22209343 0.79 KMO (0.68) KMOPLOD2PLOD3PLOD1MAPT
SCHEMBL828075 0.79 KMO (0.68) KMOPLOD2PLOD3PLOD1MAPT

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
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 EP disclosed