SCHEMBL367530

SCHEMBL367530

CCOC(=O)c1c2ccccc2n2cc(OC(C)C(C)C#N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SAE1 Q9UBE0 2/20 0.42
UBA2 Q9UBT2 2/20 0.42
APAF1 O14727 1/20 0.42
G6PD P11413 1/20 0.42
PABPC1 P11940 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL366158 0.90 KDM4E (0.43) POLBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL365367 0.88 ALDH1A1 (0.42) POLBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL366424 0.86 POLB (0.42) POLBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL367529 0.85 ALDH1A1 (0.60) POLBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL366400 0.83 POLB (0.45) POLBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL364826 0.83 ALDH1A1 (0.41) POLBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL364969 0.82 KDM4E (0.53) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL366504 0.82 KDM4E (0.44) POLBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL366953 0.81 ALDH1A1 (0.46) POLBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL365359 0.81 ALDH1A1 (0.47) POLBSMN1; SMN2ALDH1A1KDM4EMAPT

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed