SCHEMBL6509664

SCHEMBL6509664

CCn1c(=NOC)sc2cc(NC(=O)OCc3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
MAPT P10636 4/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 2/20 0.43
ENPP2 Q13822 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ROCK2 O75116 1/20 0.42
PTPN1 P18031 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL6509661 1.00 MGLL (0.46) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6509761 0.95 MGLL (0.43) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6509758 0.95 MGLL (0.43) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6508178 0.91 MGLL (0.46) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6508181 0.91 MGLL (0.46) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6511479 0.89 MGLL (0.47) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6511478 0.89 MGLL (0.47) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6511800 0.87 MGLL (0.42) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6511798 0.87 MGLL (0.42) MGLLMAPTTP53SMN1; SMN2NPC1
SCHEMBL6512420 0.84 MGLL (0.43) 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