SCHEMBL366528

SCHEMBL366528

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ELANE P08246 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
RORC P51449 2/20 0.38
HTR6 P50406 1/20 0.37
RAD52 P43351 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL366408 0.84 ALDH1A1 (0.52) ALDH1A1TDP1KMT2AMEN1HTR6
SCHEMBL364887 0.84 ALDH1A1 (0.52) ALDH1A1TDP1KMT2AMEN1RAD52
SCHEMBL366312 0.84 ALDH1A1 (0.52) ALDH1A1TDP1KMT2AMEN1RAD52
SCHEMBL364443 0.83 ALDH1A1 (0.45) ALDH1A1TDP1KMT2AMEN1RAD52
SCHEMBL365801 0.83 ALDH1A1 (0.51) ALDH1A1TDP1KMT2AMEN1RAD52
SCHEMBL365839 0.83 ALDH1A1 (0.54) ALDH1A1ELANETDP1KMT2AMEN1
SCHEMBL366527 0.83 KMT2A (0.45) ALDH1A1ELANETDP1KMT2AMEN1
SCHEMBL366836 0.82 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMEN1HTR6
SCHEMBL365411 0.82 ALDH1A1 (0.53) ALDH1A1ELANETDP1KMT2AMEN1
SCHEMBL364337 0.82 ALDH1A1 (0.44) ALDH1A1TDP1KMT2AMEN1RAD52

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