SCHEMBL5778231

SCHEMBL5778231

O=C(O)Oc1nc(-c2ccccc2)ncc1NC(=O)OCc1cc2cc(-c3ccsc3)ccc2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.36
HDAC1 Q13547 3/20 0.35
KDR P35968 1/20 0.34
TRPM4 Q8TD43 1/20 0.33
VCP P55072 1/20 0.33
FFAR1 O14842 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
KAT6A Q92794 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
PIM1 P11309 2/20 0.31
EEF2K O00418 1/20 0.31
DYRK3 O43781 1/20 0.31
JAK2 O60674 1/20 0.31
RPS6KA5 O75582 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
CDK1 P06493 1/20 0.31
CLK2 P49760 1/20 0.31
CDK5 Q00535 1/20 0.31

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
SCHEMBL5776630 0.92 MAOB (0.40) MAOBHDAC1FFAR1FFAR4PIM1
SCHEMBL5774651 0.89 MAOB (0.37) MAOBHDAC1KDRTRPM4VCP
SCHEMBL5775682 0.88 MGLL (0.41) MAOBHDAC1FFAR1FFAR4HDAC3
SCHEMBL6162028 0.81 PTPN1 (0.42) MAOBKDRTRPM4VCPFFAR1
SCHEMBL5777269 0.80 MAOB (0.41) MAOBHDAC1FFAR1FFAR4PIM1
SCHEMBL5774430 0.77 MAOB (0.40) MAOBFFAR1FFAR4L3MBTL1
SCHEMBL5775678 0.76 MGLL (0.43) MAOBHDAC1FFAR1FFAR4PIM1
SCHEMBL6166287 0.75 ACMSD (0.38) MAOBTRPM4FFAR1FFAR4CYP1A2
SCHEMBL5779454 0.75 ROCK2 (0.45) MAOBHDAC1HDAC2POLB
SCHEMBL6164962 0.75 MAOB (0.43) MAOBFFAR1FFAR4

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
EP-1368345-B1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-03-22 EP claimed