SCHEMBL7672076

SCHEMBL7672076

CCOc1cn(Cc2ccc([N+](=O)[O-])cc2)c(=O)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
DRD4 P21917 1/20 0.41
DBH P09172 1/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KCNJ1 P48048 1/20 0.40
PGR P06401 1/20 0.40
IDO1 P14902 1/20 0.39
P2RX4 Q99571 1/20 0.39
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6759593 0.78 MGLL (0.46) CA12CA9DRD4KMT2AMEN1
SCHEMBL23142401 0.72 LMNA (0.43) CA12CA9DRD4DBHKMT2A
SCHEMBL6764255 0.69 TP53 (0.45) KMT2AMEN1ALDH1A1HTT
SCHEMBL18177862 0.68 KDM4E (0.60) LMNAPTGS2MAPTALDH1A1SMN1; SMN2
SCHEMBL30072053 0.68 LMNA (0.56) DBHKMT2ALMNAMEN1P2RX4
SCHEMBL8276877 0.67 ACHE (0.50) CA12CA9DBHKMT2ALMNA
SCHEMBL23296136 0.67 DBH (0.54) DBHKMT2ALMNAMEN1MAPT
SCHEMBL14825053 0.67 DBH (0.47) CA12CA9DBHKMT2ALMNA
SCHEMBL4486235 0.67 KMT2A (0.60) DBHKMT2ALMNAMEN1MAPT
SCHEMBL45896 0.65 PTGS2 (0.80) KMT2ALMNAMEN1PTGS2MAPT

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
US-6414160-B1 REACTING 5-ALKOXY-2(3H)OXAZOLONE COMPOUND WITH ALDEHYDE COMPOUND IN PRESENCE OF LEWIS ACID CATALYST UBE INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 EP disclosed