SCHEMBL365359

SCHEMBL365359

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
SAE1 Q9UBE0 2/20 0.47
UBA2 Q9UBT2 2/20 0.47
APAF1 O14727 1/20 0.47
G6PD P11413 1/20 0.47
PABPC1 P11940 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
SLC2A1 P11166 1/20 0.43
ELANE P08246 4/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41
MPI P34949 1/20 0.41

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
SCHEMBL364902 0.92 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL366244 0.91 PSEN1 (0.41) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL365511 0.91 KMT2A (0.39) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL367540 0.90 PSEN1 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL365365 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL366935 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL364973 0.89 KMT2A (0.42) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL366392 0.89 PSEN1 (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL366118 0.88 KDM4E (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL364626 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKMT2AMEN1

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