SCHEMBL5328972

SCHEMBL5328972

N#Cc1cn(-c2ccc(N3CC(CNC=O)OC3=O)cc2F)nn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
MAOB P27338 10/20 0.45
MAOA P21397 5/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
F10 P00742 6/20 0.41

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
SCHEMBL14540785 1.00 KCNH2 (0.50) KCNH2MAOBMAOALMNAPTGS1
SCHEMBL14541190 0.88 MAOA (0.49) KCNH2MAOBMAOALMNAPTGS1
SCHEMBL5333688 0.88 MAOA (0.49) KCNH2MAOBMAOALMNAPTGS1
SCHEMBL5328394 0.84 MAOB (0.47) KCNH2MAOBMAOALMNAPTGS1
SCHEMBL14540983 0.84 MAOB (0.45) KCNH2MAOBMAOALMNAPTGS1
SCHEMBL14541188 0.84 MAOB (0.47) KCNH2MAOBMAOALMNAPTGS1
SCHEMBL14540833 0.81 MAOB (0.55) KCNH2MAOBMAOALMNAPTGS1
SCHEMBL14540827 0.80 MAOB (0.46) KCNH2MAOBMAOALMNAPTGS1
SCHEMBL5334630 0.79 MAOB (0.48) KCNH2MAOBMAOALMNAPTGS1
SCHEMBL5334612 0.79 MAOB (0.48) KCNH2MAOBMAOALMNAPTGS1

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-2007040326-A1 A NOVEL OXAZOLIDINONE FORMAMIDE DERIVATIVE AND PREPARATION METHOD THEROF ILDONG PHARMACEUTICAL CO., LTD (KR) 2007-04-12 WO disclosed