SCHEMBL6903379

SCHEMBL6903379

CC(=O)C1([N+](=O)[O-])C=CC(c2ccccc2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.36
KCNA4 P22459 1/20 0.35
KCNA1 Q09470 1/20 0.35
KCNAB1 Q14722 1/20 0.35
FBP1 P09467 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 5/20 0.32
PDE1C Q14123 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
AURKA O14965 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DNMT3B Q9UBC3 1/20 0.31
CACNA1F O60840 1/20 0.30

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
SCHEMBL3389675 0.87 KCNA4 (0.36) MEN1KMT2ACYP2C19KCNA4KCNA1
Bicarbonate SCHEMBL21906198 0.79 KCNA4 (0.37) MEN1KMT2ACYP2C19KCNA4KCNA1
SCHEMBL5983432 0.77 KCNA4 (0.38) MEN1KMT2ACYP2C19KCNA4KCNA1
SCHEMBL5479510 0.76 POLB (0.38) MEN1KMT2APOLBALDH1A1USP2
SCHEMBL8655835 0.76 KCNA4 (0.40) MEN1KMT2ACYP2C19KCNA4KCNA1
SCHEMBL6155288 0.73 KCNA4 (0.45) MEN1KMT2ACYP2C19KCNA4KCNA1
SCHEMBL2422556 0.73 KCNA4 (0.38) MEN1KMT2ACYP2C19KCNA4KCNA1
SCHEMBL10715608 0.73 SMN1; SMN2 (0.41) MEN1KMT2ACYP2C19POLBALDH1A1
SCHEMBL6808142 0.73 POLB (0.36) MEN1KMT2ACYP2C19POLBALDH1A1
SCHEMBL6903843 0.71 POLB (0.36) CYP2C19POLBALDH1A1USP2MAPT

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
EP-1409125-A1 MICROENCAPSULATED CATALYST, METHODS OF PREPARATION AND METHODS OF USE THEREOF Avecia Limited (GB) 2004-04-21 EP disclosed
WO-2003006151-A1 MICROENCAPSULATED CATALYST, METHODS OF PREPARATION AND METHODS OF USE THEREOF AVECIA LIMITED (GB) 2003-01-23 WO disclosed