SCHEMBL4716170

SCHEMBL4716170

O=C(O)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.71
ALDH1A1 P00352 8/20 0.64
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
HSP90AA1 P07900 1/20 0.56
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
RECQL P46063 1/20 0.52
POLB P06746 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL15290028 0.89 SIGMAR1 (0.67) SIGMAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1878650 0.89 SIGMAR1 (0.67) SIGMAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL10315570 0.88 SIGMAR1 (0.65) SIGMAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL17653930 0.87 MEN1 (0.76) SIGMAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL3649483 0.86 SIGMAR1 (0.64) SIGMAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL367862 0.85 SIGMAR1 (0.63) SIGMAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4009613 0.85 SIGMAR1 (0.62) SIGMAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL2930608 0.84 ALDH1A1 (0.71) SIGMAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL402564 0.82 SIGMAR1 (0.59) SIGMAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4717096 0.82 SIGMAR1 (0.71) SIGMAR1ALDH1A1KDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962852-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
EP-1959738-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007078839-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-12 WO disclosed
WO-2007070626-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed