SCHEMBL9016427

SCHEMBL9016427

COC(=O)C(C=NO)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
DHFR P00374 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
SCHEMBL9448931 0.82 KMT2A (0.62) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL9448933 0.82 KMT2A (0.62) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL2596959 0.80 KMT2A (0.66) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL9016492 0.80 CYP1A2 (0.53) GAAALDH1A1LMNACYP1A2
SCHEMBL9011582 0.79 KMT2A (0.63) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL10773171 0.79 KMT2A (0.58) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL7043903 0.79 KMT2A (0.58) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL18901910 0.78 CYP1A2 (0.45) GAAKMT2AMEN1LMNATSHR
SCHEMBL19718025 0.76 KMT2A (0.55) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL7638396 0.74 GAA (0.47) GAAKMT2AMEN1PTGS1PTGS2

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