SCHEMBL366158

SCHEMBL366158

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SAE1 Q9UBE0 2/20 0.43
UBA2 Q9UBT2 2/20 0.43
APAF1 O14727 1/20 0.43
G6PD P11413 1/20 0.43
PABPC1 P11940 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
IDO1 P14902 1/20 0.40
MAPK1 P28482 1/20 0.40
HBB P68871 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL367530 0.90 POLB (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL365367 0.90 ALDH1A1 (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL367028 0.88 NR4A2 (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL366424 0.88 POLB (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL366400 0.85 POLB (0.45) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL364826 0.85 ALDH1A1 (0.41) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL366157 0.84 ALDH1A1 (0.62) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL366504 0.84 KDM4E (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL366953 0.83 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL365359 0.83 ALDH1A1 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A

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