SCHEMBL365609

SCHEMBL365609

CSCCOc1ccc2c(C(=O)OCCN(C)C)c3ccccc3n2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
APAF1 O14727 1/20 0.36
G6PD P11413 1/20 0.36
PABPC1 P11940 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
SAE1 Q9UBE0 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
SCHEMBL367008 0.87 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL364682 0.85 KMT2A (0.58) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL366836 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL365608 0.84 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL364443 0.84 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL367114 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL366408 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL364887 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL366312 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL365839 0.80 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1HPGDMAPT

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