SCHEMBL6512417

SCHEMBL6512417

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
KDM1A O60341 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ENPP2 Q13822 2/20 0.40
POLB P06746 1/20 0.40
ROCK2 O75116 1/20 0.40
RCOR1 Q9UKL0 1/20 0.39
KAT2B Q92831 1/20 0.39

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
SCHEMBL6512420 1.00 MGLL (0.43) MGLLALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL6511479 0.95 MGLL (0.47) MGLLALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL6511478 0.95 MGLL (0.47) MGLLALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL6511161 0.91 MGLL (0.42) MGLLALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL6511164 0.91 MGLL (0.42) MGLLALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL6509761 0.90 MGLL (0.43) MGLLALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL6509758 0.90 MGLL (0.43) MGLLALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL6512404 0.85 MGLL (0.46) MGLLALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL6512400 0.85 MGLL (0.46) MGLLALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL6509661 0.84 MGLL (0.46) MGLLALDH1A1SMN1; SMN2NPC1TP53

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