SCHEMBL5776630

SCHEMBL5776630

O=C(O)Oc1nc(-c2ccccc2)ncc1NC(=O)OCc1cc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.40
MGLL Q99685 4/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ENPP2 Q13822 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5775682 0.96 MGLL (0.41) MAOBMGLLFFAR1FFAR4CYP1A2
SCHEMBL5778231 0.92 MAOB (0.36) MAOBFFAR1FFAR4PIM1PIM2
SCHEMBL5777269 0.87 MAOB (0.41) MAOBMGLLFFAR1FFAR4PIM1
SCHEMBL5774430 0.85 MAOB (0.40) MAOBMGLLFFAR1FFAR4L3MBTL1
SCHEMBL5775678 0.83 MGLL (0.43) MAOBMGLLFFAR1FFAR4PIM1
SCHEMBL5779454 0.82 ROCK2 (0.45) MAOBMGLLENPP2POLBHDAC1
SCHEMBL6164962 0.82 MAOB (0.43) MAOBMGLLFFAR1FFAR4ENPP2
SCHEMBL5774651 0.79 MAOB (0.37) MAOBFFAR1FFAR4PIM1PIM2
SCHEMBL6163345 0.78 CA12 (0.46) MAOBMGLLFFAR1FFAR4ENPP2
SCHEMBL6164397 0.78 PTPN1 (0.50) MAOBMGLLFFAR1FFAR4ENPP2

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