SCHEMBL9016445

SCHEMBL9016445

O=C(O)C(C=NO)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
HTR2A P28223 1/20 0.43
SRD5A2 P31213 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
CES1 P23141 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CES2 O00748 1/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYOC Q99972 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BCL9 O00512 1/20 0.39

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
SCHEMBL9016432 0.85 MEN1 (0.44) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7825213 0.83 MEN1 (0.46) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL3751456 0.74 CES1 (0.51) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL28320340 0.73 MEN1 (0.48) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL28577071 0.73 LMNA (0.59) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL829966 0.73 LMNA (0.59) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL28128006 0.73 MEN1 (0.45) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL11711497 0.72 MEN1 (0.54) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4778707 0.70 KMT2A (0.67) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL31144660 0.70 CA1 (0.53) KMT2AMEN1MAPTNPC1RAB9A

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-5574153-A BACTERICIDES ACS DOBFAR S.P.A. (IT) 1996-11-12 US disclosed
EP-0638574-A1 Oxime derivatives of cephalosporanic structure and compounds for their preparation ACS DOBFAR S.p.A. (IT) 1995-02-15 EP disclosed