SCHEMBL5199693

SCHEMBL5199693

CCOC(=O)C1CCNC1c1cc(C)nc(-c2ncc[nH]2)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MAPK14 Q16539 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
HSF1 Q00613 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
JAK1 P23458 1/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.32
LMNA P02545 1/20 0.31
NAMPT P43490 1/20 0.31
PLAT P00750 1/20 0.31

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
SCHEMBL29743004 0.75 KDM4E (0.49) MAPTPKMKMT2AMEN1ALDH1A1
SCHEMBL20851548 0.75 KDM4E (0.49) MAPTPKMKMT2AMEN1ALDH1A1
SCHEMBL5201190 0.73 MAPK14 (0.33) MAPK14HCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL4641452 0.72 SCN10A (0.35) HCRTR1HCRTR2
SCHEMBL5202337 0.71 KDM4E (0.36) MAPK14KMT2AMEN1HSF1HCRTR1
SCHEMBL5202000 0.71 MEN1 (0.33) KMT2AMEN1HCRTR1HCRTR2
SCHEMBL5204446 0.68 HCRTR1 (0.37) MAPK14KMT2AMEN1HCRTR1HCRTR2
SCHEMBL5203615 0.68 UCHL1 (0.38) HCRTR1HCRTR2
SCHEMBL4640604 0.66 AADAT (0.45) KMT2AMEN1KDM4ETSHRNPSR1
SCHEMBL26092526 0.64 MAPT (0.44) MAPTPKMALDH1A1

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-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed