SCHEMBL13733484

SCHEMBL13733484

CCOC(=O)c1cn2cc(NC(=O)N(C)C)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
POLB P06746 2/20 0.56
RAB9A P51151 6/20 0.49
GAA P10253 1/20 0.48
NPC1 O15118 4/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
GLA P06280 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41

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
SCHEMBL3541254 0.86 KDM4E (0.60) KDM4EPOLBRAB9AGAANPC1
SCHEMBL13733750 0.83 PTGS1 (0.48) KDM4EPOLBRAB9ANPC1ALDH1A1
SCHEMBL23950382 0.81 KDM4E (0.54) KDM4EPOLBRAB9AGAANPC1
SCHEMBL21033620 0.81 RAB9A (0.61) KDM4EPOLBRAB9AGAANPC1
SCHEMBL2086625 0.80 KDM4E (0.63) KDM4EPOLBRAB9AGAANPC1
SCHEMBL22289012 0.80 KDM4E (0.53) KDM4EPOLBRAB9AGAANPC1
SCHEMBL871014 0.80 KDM4E (0.69) KDM4EPOLBRAB9AGAANPC1
Bromide SCHEMBL3774680 0.79 KDM4E (0.61) KDM4EPOLBRAB9AGAANPC1
SCHEMBL24066065 0.79 KDM4E (0.57) KDM4EPOLBRAB9AGAANPC1
SCHEMBL118658 0.77 KDM4E (0.66) KDM4EPOLBRAB9AGAANPC1

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