SCHEMBL2580717

SCHEMBL2580717

Clc1cccc(Nc2nc(NCc3ccccc3Cl)c3ccccc3n2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 6/20 0.69
PDE5A O76074 4/20 0.57
NPY5R Q15761 2/20 0.54
SLC2A1 P11166 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NR2F2 P24468 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL2590962 0.89 SOS1 (0.66) SOS1PDE5ANPY5RSLC2A1KMT2A
SCHEMBL2587390 0.89 SOS1 (0.66) SOS1PDE5ANPY5RSLC2A1KMT2A
SCHEMBL2588773 0.89 SOS1 (0.66) SOS1PDE5ANPY5RSLC2A1KMT2A
SCHEMBL2583209 0.87 SOS1 (0.72) SOS1PDE5ASLC2A1KMT2AMEN1
SCHEMBL2587500 0.86 SLC2A1 (0.65) SOS1SLC2A1KMT2AMEN1TAAR1
SCHEMBL2592287 0.86 SOS1 (0.71) SOS1PDE5ANPY5RSLC2A1KMT2A
SCHEMBL2588890 0.85 SOS1 (0.70) SOS1PDE5ANPY5RSLC2A1KMT2A
SCHEMBL2590218 0.82 SOS1 (0.66) SOS1PDE5AKMT2AMEN1ABCG2
SCHEMBL2588902 0.82 SOS1 (0.66) SOS1PDE5ANPY5RSLC2A1KMT2A
SCHEMBL2587225 0.82 SOS1 (0.66) SOS1PDE5ASLC2A1KMT2AALDH1A1

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