SCHEMBL4592638

SCHEMBL4592638

O=C(O)c1ccc2c(ccn2COc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.54
PPARG P37231 3/20 0.50
PPARD Q03181 3/20 0.50
PPARA Q07869 2/20 0.50
PKM P14618 1/20 0.46
MCL1 Q07820 4/20 0.44
BCL2 P10415 3/20 0.44
MAPK1 P28482 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL5071873 0.81 PLA2G4A (0.51) PLA2G4APPARGPPARDPPARAMCL1
SCHEMBL5068779 0.81 PLA2G4A (0.44) PLA2G4APPARGPPARDPPARAMCL1
SCHEMBL30888879 0.78 PLAU (0.57) PPARGHDAC8HDAC6HDAC11HDAC3
SCHEMBL15971036 0.78 PLAU (0.57) PPARGHDAC8HDAC6HDAC11HDAC3
SCHEMBL5068315 0.77 TUBB4A (0.57) PLA2G4APPARGPPARDPPARAHDAC8
SCHEMBL28607801 0.76 KMT2A (0.60) PLA2G4APPARGPPARDPPARA
SCHEMBL2983210 0.76 PLA2G4A (0.48) PLA2G4APPARGPPARDPPARAHDAC8
SCHEMBL5387474 0.76 TUBB4A (0.59) PLA2G4APPARGHDAC8HDAC6HDAC11
SCHEMBL28586559 0.76 RORC (0.50) PLA2G4APPARGPPARDPPARAMCL1
SCHEMBL1609166 0.76 MCL1 (0.63) PLA2G4APPARGPPARDPPARAPKM

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-1807398-B1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-25 EP disclosed