SCHEMBL13733197

SCHEMBL13733197

CCOC(=O)c1nc(C(C)=O)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 6/20 0.38
CACNA1F O60840 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37
GLA P06280 1/20 0.37
CES1 P23141 1/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC26A6 Q9BXS9 2/20 0.36
MAPK1 P28482 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
SCHEMBL8544450 0.87 HTT (0.47) HTTCYP1A2ALDH1A1CACNA1FCACNA1D
SCHEMBL15599072 0.82 HTT (0.43) HTTCYP1A2ALDH1A1CACNA1FCACNA1D
SCHEMBL7400591 0.80 HTT (0.52) HTTCYP1A2ALDH1A1CACNA1FCACNA1D
SCHEMBL9461101 0.77 HTT (0.50) HTTCYP1A2ALDH1A1CACNA1FCACNA1D
SCHEMBL15284739 0.77 HTT (0.50) HTTCYP1A2ALDH1A1CACNA1FCACNA1D
SCHEMBL3559987 0.76 HTT (0.49) HTTCYP1A2ALDH1A1CACNA1FCACNA1D
SCHEMBL25677447 0.76 HTT (0.40) HTTCYP1A2ALDH1A1CACNA1FCACNA1D
SCHEMBL23367206 0.75 MMP2 (0.49) HTTALDH1A1CES1HPGDKDM4E
Hydrochloric Acid SCHEMBL4493041 0.75 HTT (0.48) HTTCYP1A2ALDH1A1CACNA1FCACNA1D
SCHEMBL12410861 0.75 HTT (0.48) HTTCYP1A2ALDH1A1CACNA1FCACNA1D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699561-B1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORP (FI) 2015-06-03 EP disclosed
US-8921378-B2 Androgen receptor modulating carboxamides ORION CORPORATION (FI) 2014-12-30 US disclosed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 WO disclosed