SCHEMBL367007

SCHEMBL367007

CSCCOC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 4/20 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
RAD52 P43351 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.40
POLR1A O95602 1/20 0.39
HPGD P15428 2/20 0.38

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
SCHEMBL366311 0.93 TDP1 (0.49) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL366301 0.88 TDP1 (0.46) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL364259 0.88 MAPT (0.46) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL366411 0.88 TDP1 (0.47) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL365608 0.87 ALDH1A1 (0.53) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL365410 0.87 ALDH1A1 (0.46) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL365387 0.86 ALDH1A1 (0.46) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL364201 0.85 TDP1 (0.43) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL365859 0.85 TDP1 (0.43) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL365039 0.85 MAPT (0.45) TDP1ALDH1A1KMT2AMAPTMEN1

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 3 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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed