SCHEMBL6511733

SCHEMBL6511733

CON=c1sc2cc(N3C[C@H](CN(C(C)=O)C(C)=O)OC3=O)ccc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.39
F10 P00742 6/20 0.38
MAOA P21397 4/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
CALML3 P27482 1/20 0.38
SDHA P31040 1/20 0.38
GRM2 Q14416 3/20 0.36
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6516105 0.91 MAOB (0.42) MAOBF10MAOALMNAPTGS1
SCHEMBL6509769 0.90 MAOB (0.41) MAOBF10MAOALMNAPTGS1
SCHEMBL6512664 0.86 MAOA (0.54) MAOBF10MAOALMNAPTGS1
SCHEMBL6512668 0.86 MAOA (0.54) MAOBF10MAOALMNAPTGS1
SCHEMBL6509842 0.85 F10 (0.44) MAOBF10MAOALMNAPTGS1
SCHEMBL6509840 0.85 F10 (0.44) MAOBF10MAOALMNAPTGS1
SCHEMBL6511736 0.83 MAOA (0.51) MAOBF10MAOALMNAPTGS1
SCHEMBL6513194 0.82 F10 (0.44) MAOBF10MAOALMNAPTGS1
SCHEMBL6513198 0.82 F10 (0.44) MAOBF10MAOALMNAPTGS1
SCHEMBL6515849 0.82 MAOB (0.42) MAOBF10MAOALMNAPTGS1

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-2005082900-A2 OXAZOLIDINONE AMIDOXIMES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed