SCHEMBL6512400

SCHEMBL6512400

CCO/N=c1\sc2cc(NC(=O)OCc3ccccc3)ccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.42
ENPP2 Q13822 2/20 0.42
ROCK2 O75116 1/20 0.41
ADORA2B P29275 2/20 0.40
PTPN1 P18031 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 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
SCHEMBL6512404 1.00 MGLL (0.46) MGLLSMN1; SMN2TP53MAPTNPC1
SCHEMBL6511161 0.95 MGLL (0.42) MGLLSMN1; SMN2TP53MAPTNPC1
SCHEMBL6511164 0.95 MGLL (0.42) MGLLSMN1; SMN2TP53MAPTNPC1
SCHEMBL6508178 0.90 MGLL (0.46) MGLLSMN1; SMN2TP53MAPTNPC1
SCHEMBL6508181 0.90 MGLL (0.46) MGLLSMN1; SMN2TP53MAPTNPC1
SCHEMBL6511479 0.90 MGLL (0.47) MGLLSMN1; SMN2TP53MAPTNPC1
SCHEMBL6511478 0.90 MGLL (0.47) MGLLSMN1; SMN2TP53MAPTNPC1
SCHEMBL6511800 0.86 MGLL (0.42) MGLLSMN1; SMN2TP53MAPTNPC1
SCHEMBL6511798 0.86 MGLL (0.42) MGLLSMN1; SMN2TP53MAPTNPC1
SCHEMBL6512420 0.85 MGLL (0.43) MGLLSMN1; SMN2TP53MAPTNPC1

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