SCHEMBL366118

SCHEMBL366118

CCOC(=O)c1c2ccccc2n2cc(OCCCC#N)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.45
SAE1 Q9UBE0 2/20 0.45
UBA2 Q9UBT2 2/20 0.45
APAF1 O14727 1/20 0.45
G6PD P11413 1/20 0.45
PABPC1 P11940 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
NMT2 O60551 2/20 0.41
NMT1 P30419 2/20 0.41
LMNA P02545 3/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL366579 0.97 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL365359 0.88 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL365446 0.88 PSEN1 (0.36) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL365132 0.85 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL365439 0.85 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL366117 0.84 ALDH1A1 (0.65) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL367540 0.83 PSEN1 (0.45) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL364682 0.83 KMT2A (0.58) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL365979 0.83 ALDH1A1 (0.36) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL366424 0.82 POLB (0.42) KDM4EALDH1A1MEN1KMT2AMAPT

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