SCHEMBL9016430

SCHEMBL9016430

COC(=O)Cc1ccccc1C=NO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.47
HPGD P15428 5/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
EGFR P00533 1/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FGF23 Q9GZV9 1/20 0.37

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
SCHEMBL4893812 0.81 ALDH1A1 (0.44) HPGDLMNAALDH1A1EGFRHTT
SCHEMBL5283277 0.80 KDM4E (0.43) LMNAALDH1A1EGFRKDM4ETSHR
SCHEMBL9011882 0.80 ALDH1A1 (0.43) HPGDLMNAALDH1A1EGFRHTT
SCHEMBL9016478 0.80 AKR1B1 (0.52) USP2HPGDLMNAALDH1A1HTT
SCHEMBL8338530 0.80 AKR1B1 (0.52) USP2HPGDLMNAALDH1A1HTT
SCHEMBL9016481 0.80 AKR1B1 (0.52) USP2HPGDLMNAALDH1A1HTT
SCHEMBL26075997 0.79 KDM4E (0.43) LMNAALDH1A1EGFRKDM4ETSHR
SCHEMBL1554320 0.78 KDM4E (0.53) HPGDLMNAALDH1A1EGFRKDM4E
SCHEMBL5026445 0.77 KDM4E (0.42) LMNAALDH1A1EGFRKDM4ETSHR
SCHEMBL10655491 0.77 USP2 (0.47) USP2HPGDLMNAALDH1A1HTT

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