SCHEMBL6166312

SCHEMBL6166312

COC(=O)Oc1cc(NC(=O)c2cc([N+](=O)[O-])[nH]n2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
DYRK1A Q13627 1/20 0.34
MAPT P10636 7/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ABL1 P00519 1/20 0.30

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
SCHEMBL6350652 0.83 HPGD (0.50) HPGDDYRK1AMAPTKMT2AMEN1
SCHEMBL25449 0.73 MAPK1 (0.57) HPGDDYRK1AMAPTKMT2AMEN1
SCHEMBL27725624 0.73 HPGD (0.43) HPGDDYRK1AMAPTKMT2AMEN1
SCHEMBL16175225 0.73 HPGD (0.39) HPGDDYRK1AMAPTKMT2AMEN1
SCHEMBL8521461 0.72 MAPK1 (0.35) HPGDMAPTKDM4EMAPK1ALDH1A1
SCHEMBL2359207 0.72 HPGD (0.43) HPGDDYRK1AMAPTKMT2AMEN1
SCHEMBL16077518 0.71 HPGD (0.54) HPGDMAPTKMT2AMEN1KDM4E
SCHEMBL20262820 0.70 HPGD (0.43) HPGDDYRK1AKMT2AMEN1LMNA
SCHEMBL27706813 0.70 HPGD (0.40) HPGDDYRK1AMAPTKMT2AKDM4E
SCHEMBL6722955 0.70 HPGD (0.46) HPGDMAPTKMT2AMEN1KDM4E

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
EP-1503990-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR Transmit Gesellschaft für Technologietransfer mbH (DE) 2005-02-09 EP disclosed
WO-2003095429-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR TransMIT Gesellschaft für Technologietransfer mbH (DE) 2003-11-20 WO disclosed