SCHEMBL16686258

SCHEMBL16686258

Cc1cc(Br)ccc1N1CC(CO)OC1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CALML3 P27482 6/20 0.43
TSHR P16473 1/20 0.42
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
F10 P00742 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HBB P68871 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM2 Q14416 1/20 0.39

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
SCHEMBL16686255 1.00 MAOA (0.55) MAOAMAOBCALML3TSHRCYP3A4
SCHEMBL16685760 0.86 MAOA (0.40) MAOAMAOBTSHRF10MEN1
SCHEMBL16685757 0.86 MAOA (0.40) MAOAMAOBTSHRF10MEN1
SCHEMBL2897920 0.85 CALML3 (0.50) MAOAMAOBCALML3F10GRM2
SCHEMBL16685649 0.85 CALML3 (0.50) MAOAMAOBCALML3F10GRM2
SCHEMBL16696395 0.82 GRM2 (0.39) MAOAMAOBF10GRM2
SCHEMBL31021291 0.80 MAOA (0.60) MAOAMAOBCALML3MAPTKMT2A
SCHEMBL412168 0.79 MAOA (0.58) MAOAMAOBCALML3CYP3A4THRB
SCHEMBL16685880 0.79 MAOA (0.58) MAOAMAOBCALML3CYP3A4THRB
SCHEMBL16685837 0.78 F10 (0.36) MAOAMAOBF10GRM2

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-2015066413-A1 OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-05-07 WO disclosed