SCHEMBL2583888

SCHEMBL2583888

COc1cccc2c(NCc3ccccc3)nc(Nc3cccc(Cl)c3)nc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.53
SOS1 Q07889 1/20 0.52
VCP P55072 6/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PDE5A O76074 1/20 0.51
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL2583200 0.88 SLC2A1 (0.53) SLC2A1VCPMAPTMAPK1NPSR1
SCHEMBL1353218 0.84 SLC2A1 (0.63) SLC2A1VCPMAPTMAPK1NPSR1
SCHEMBL2583209 0.82 SOS1 (0.72) SLC2A1SOS1MAPTMAPK1NPSR1
SCHEMBL2590586 0.82 SLC2A1 (0.73) SLC2A1SOS1KDM4ELMNAPDE5A
SCHEMBL2587500 0.82 SLC2A1 (0.65) SLC2A1SOS1MAPTMAPK1NPSR1
SCHEMBL12176174 0.81 VCP (0.51) SLC2A1VCPMAPK1LMNASMN1; SMN2
SCHEMBL2590464 0.81 SLC2A1 (0.66) SLC2A1SOS1MAPTMAPK1NPSR1
SCHEMBL2585006 0.80 PDE5A (0.60) SLC2A1VCPMAPK1LMNASMN1; SMN2
SCHEMBL2592287 0.79 SOS1 (0.71) SLC2A1SOS1MAPTNPSR1KDM4E
SCHEMBL15444680 0.79 VCP (0.52) SLC2A1VCPMAPK1LMNASMN1; SMN2

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-2566480-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE California Institute of Technology (US) 2013-03-13 EP disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed