SCHEMBL2590586

SCHEMBL2590586

COc1ccc(CNc2nc(Nc3cccc(Cl)c3)nc3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.73
SOS1 Q07889 1/20 0.63
NPY5R Q15761 1/20 0.58
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
APP P05067 2/20 0.58
MERTK Q12866 3/20 0.58
POLB P06746 1/20 0.57
PDE5A O76074 1/20 0.56
EGFR P00533 1/20 0.55
CDK1 P06493 1/20 0.55
CTNNB1 P35222 1/20 0.55
TCF7L2 Q9NQB0 1/20 0.55
KDR P35968 1/20 0.54
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL2590464 0.91 SLC2A1 (0.66) SLC2A1SOS1KDM4EHTTTAAR1
SCHEMBL2588890 0.89 SOS1 (0.70) SLC2A1SOS1NPY5RKDM4EAPP
SCHEMBL2583209 0.89 SOS1 (0.72) SLC2A1SOS1KDM4EHTTAPP
SCHEMBL2588902 0.89 SOS1 (0.66) SLC2A1SOS1NPY5RKDM4EHTT
SCHEMBL2587225 0.86 SOS1 (0.66) SLC2A1SOS1KDM4EHTTAPP
SCHEMBL2590218 0.86 SOS1 (0.66) SOS1KDM4EAPPMERTKPDE5A
SCHEMBL2584929 0.86 NPY5R (0.80) SLC2A1NPY5RKDM4EHTTTAAR1
SCHEMBL2592287 0.86 SOS1 (0.71) SLC2A1SOS1NPY5RKDM4EAPP
SCHEMBL12175852 0.85 SLC2A1 (1.00) SLC2A1NPY5RKDM4EAPPMERTK
SCHEMBL2587500 0.84 SLC2A1 (0.65) SLC2A1SOS1KDM4EHTTTAAR1

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 3 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
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