SCHEMBL6511161

SCHEMBL6511161

CCO/N=c1\sc2cc(NC(=O)OCc3ccccc3)ccc2n1C.O=C(Cl)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ENPP2 Q13822 1/20 0.39
POLB P06746 1/20 0.39
ROCK2 O75116 1/20 0.39
RCOR1 Q9UKL0 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6511164 1.00 MGLL (0.42) MGLLSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL6512400 0.95 MGLL (0.46) MGLLSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL6512404 0.95 MGLL (0.46) MGLLSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL6511800 0.91 MGLL (0.42) MGLLSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL6511798 0.91 MGLL (0.42) MGLLSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL6512417 0.91 MGLL (0.43) MGLLSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL6512420 0.91 MGLL (0.43) MGLLSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL6508178 0.86 MGLL (0.46) MGLLSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL6508181 0.86 MGLL (0.46) MGLLSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL6511478 0.86 MGLL (0.47) MGLLSMN1; SMN2ALDH1A1NPC1TP53

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