SCHEMBL6672496

SCHEMBL6672496

CC1[C@H](C(N)=O)OC(=O)N1c1ccc(N2Cc3cccnc3C2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 1/20 0.38
GRM1 Q13255 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
AOC3 Q16853 1/20 0.35
IDH1 O75874 4/20 0.33
MAOB P27338 5/20 0.33
MAOA P21397 4/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
CALML3 P27482 1/20 0.33
SDHA P31040 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL3041159 0.93 TIPARP (0.39) TIPARPGRM1HDAC6AOC3IDH1
SCHEMBL3036235 0.81 MAOA (0.49) TIPARPMAOBMAOALMNAPTGS1
SCHEMBL6674186 0.81 MAOA (0.49) TIPARPMAOBMAOALMNAPTGS1
SCHEMBL5765558 0.76 MAOB (0.42) TIPARPGRM1MAOBMAOALMNA
SCHEMBL3041156 0.75 MAOB (0.43) TIPARPGRM1MAOBMAOALMNA
SCHEMBL3038203 0.75 MAOB (0.43) TIPARPGRM1MAOBMAOALMNA
SCHEMBL6636437 0.75 CALML3 (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6638114 0.74 MAOA (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3045062 0.70 ALDH1A1 (0.47) TIPARPGRM1HDAC6AOC3LMNA
SCHEMBL5792891 0.68 CYP11B2 (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478629-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
WO-2003072553-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO disclosed