SCHEMBL6928567

SCHEMBL6928567

COC(=O)CCn1c(=O)[nH]cc(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.49
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KAT2B Q92831 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DYRK1A Q13627 1/20 0.39
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
PDE2A O00408 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
ADRA1D P25100 2/20 0.36

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
SCHEMBL7643580 0.84 SLC9A1 (0.58) SLC9A1KDM4EALDH1A1KAT2BSMN1; SMN2
SCHEMBL6926451 0.83 SLC9A1 (0.52) SLC9A1KDM4EALDH1A1POLB
SCHEMBL15110502 0.77 SLC9A1 (0.51) SLC9A1SMN1; SMN2POLBADRA1DADRA1A
SCHEMBL7641949 0.74 SLC9A1 (0.57) SLC9A1KDM4EALDH1A1KAT2BMEN1
SCHEMBL7344009 0.73 TSHR (0.46) KDM4EALDH1A1KAT2BSMN1; SMN2MEN1
SCHEMBL2153695 0.72 SLC9A1 (0.63) SLC9A1KDM4EMEN1KMT2A
SCHEMBL7643597 0.72 SLC9A1 (0.63) SLC9A1KDM4EALDH1A1ADRA1DADRA1A
SCHEMBL16581427 0.72 ADORA2A (0.48) SLC9A1SMN1; SMN2POLBADRA1DADRA1A
SCHEMBL28645646 0.72 CHEK1 (0.38) KDM4EALDH1A1KAT2BSMN1; SMN2PRKACA
SCHEMBL3792986 0.71 SLC9A1 (0.47) SLC9A1ADRA1DADRA1AADRA1BCYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960121-A4 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT DORTE (DK) 2003-05-28 EP disclosed
EP-0960121-A1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT, Dorte (DK) 1999-12-01 EP disclosed
WO-1998003542-A1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT, DORTE (DK) 1998-01-29 WO disclosed
EP-0586618-A1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES. BUCHARDT OLE (DK) 1994-03-16 EP disclosed
EP-0586474-A1 PEPTIDE NUCLEIC ACIDS BUCHARDT, Ole (DK) 1994-03-16 EP disclosed