SCHEMBL3633664

SCHEMBL3633664

CCOC(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)O)ccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.48
BRAF P15056 1/20 0.47
CD74 P04233 2/20 0.45
PKM P14618 1/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MET P08581 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.42
TNIK Q9UKE5 1/20 0.42

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
SCHEMBL3632389 0.92 MIF (0.47) MIFBRAFCD74PKMPOLB
SCHEMBL3633656 0.88 MIF (0.63) MIFCD74PKMPOLBMAPT
SCHEMBL2540880 0.87 MIF (0.49) MIFCD74PKMPOLBMAPT
SCHEMBL2542424 0.84 MIF (0.48) MIFCD74PKMPOLBMAPT
SCHEMBL14563237 0.82 MIF (0.60) MIFCD74POLBMAPTSMN1; SMN2
SCHEMBL12266432 0.78 MAPT (0.45) MIFBRAFPKMPOLBMAPT
SCHEMBL14563223 0.78 MIF (0.70) MIFCD74POLBMAPTALDH1A1
SCHEMBL12240999 0.78 SIGMAR1 (0.44) MIFPKMMAPTLMNAHSD17B10
SCHEMBL12266109 0.77 PIK3CB (0.51) MIFCD74PKMPOLBMAPT
SCHEMBL12241002 0.77 SIGMAR1 (0.45) MIFPKMMAPTLMNAMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150551-B1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2013-01-16 EP disclosed
EP-2150551-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS Merck Patent GmbH (DE) 2010-02-10 EP disclosed
WO-2008148449-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2008-12-11 WO disclosed