SCHEMBL365496

SCHEMBL365496

CCOC(=O)c1c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2n2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 3/20 0.59
SAE1 Q9UBE0 2/20 0.59
UBA2 Q9UBT2 2/20 0.59
APAF1 O14727 1/20 0.59
G6PD P11413 1/20 0.59
PABPC1 P11940 1/20 0.59
CACNA1B Q00975 1/20 0.59
APBA1 Q02410 1/20 0.59
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
XBP1 P17861 1/20 0.52
MPI P34949 1/20 0.52
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL364181 0.87 ALDH1A1 (0.65) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL366970 0.87 KMT2A (0.70) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL365497 0.86 MAOB (0.50) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL366339 0.86 KMT2A (0.64) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL364481 0.85 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL364783 0.83 ALDH1A1 (0.67) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL366359 0.83 KMT2A (0.60) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL366973 0.83 MAPT (0.60) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL366701 0.82 KMT2A (0.61) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL364673 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMAPTKDM4EMEN1

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