SCHEMBL9016432

SCHEMBL9016432

CON=CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
SRD5A2 P31213 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 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
SCHEMBL9016445 0.85 KMT2A (0.46) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL9016505 0.81 PPARG (0.41) KMT2ALMNAMAPTNPC1RAB9A
SCHEMBL9016500 0.81 PPARG (0.41) KMT2ALMNAMAPTNPC1RAB9A
SCHEMBL9016461 0.80 PPARG (0.36) KMT2ALMNANPC1HTTGAA
SCHEMBL7825213 0.80 MEN1 (0.46) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL9016513 0.78 ADAMTS4 (0.37) MEN1KMT2ALMNANPC1HTT
SCHEMBL9016533 0.76 MEN1 (0.46) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL28577071 0.73 LMNA (0.59) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL829966 0.73 LMNA (0.59) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL11711497 0.72 MEN1 (0.54) MEN1KMT2ALMNAMAPTNPC1

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