SCHEMBL6511478

SCHEMBL6511478

CO/N=c1/sc2cc(NC(=O)OCc3ccccc3)ccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 2/20 0.44
ENPP2 Q13822 2/20 0.43
ROCK2 O75116 1/20 0.43
PTPN1 P18031 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6511479 1.00 MGLL (0.47) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6512420 0.95 MGLL (0.43) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6512417 0.95 MGLL (0.43) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6512404 0.90 MGLL (0.46) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6512400 0.90 MGLL (0.46) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6509664 0.89 MGLL (0.46) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6509661 0.89 MGLL (0.46) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6511164 0.86 MGLL (0.42) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6511161 0.86 MGLL (0.42) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL7812540 0.85 MAPT (0.53) MGLLMAPTTP53SMN1; SMN2NPC1

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