SCHEMBL366735

SCHEMBL366735

CC(=O)c1ccc2c(C=O)c3ccccn3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
BAZ2B Q9UIF8 6/20 0.40
BAZ2A Q9UIF9 6/20 0.40
BRD9 Q9H8M2 2/20 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
SCHEMBL367568 0.81 ALDH1A1 (0.44) HTTALDH1A1KMT2AMEN1GAA
SCHEMBL367329 0.81 BAZ2B (0.47) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL10274437 0.80 ALDH1A1 (0.56) HTTALDH1A1KMT2AMEN1GAA
SCHEMBL366875 0.79 EGFR (0.42) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL366736 0.77 ALDH1A1 (0.41) HTTALDH1A1KMT2AMEN1GAA
Potassium Ion SCHEMBL364866 0.77 MAPT (0.40) HTTALDH1A1KMT2AMEN1GAA
SCHEMBL365546 0.77 KMT2A (0.64) HTTALDH1A1KMT2AMEN1GAA
SCHEMBL364280 0.76 MAPT (0.47) HTTALDH1A1KMT2AMEN1GAA
SCHEMBL366441 0.76 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL364388 0.75 ALDH1A1 (0.43) HTTALDH1A1KMT2AMEN1GAA

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