SCHEMBL2052247

SCHEMBL2052247

Cn1c(C2CN(C(=O)O)C2)nc2cc(C#Cc3ccccn3)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
PTPN7 P35236 1/20 0.47
DUSP3 P51452 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HCRTR1 O43613 1/20 0.45
RIPK1 Q13546 3/20 0.38
GRM5 P41594 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR1 O14842 1/20 0.37
ERN1 O75460 1/20 0.37
ABL1 P00519 1/20 0.36

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
SCHEMBL2053451 0.89 POLB (0.51) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL9994908 0.88 GRM5 (0.46) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL6922080 0.86 POLB (0.48) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2053790 0.86 POLB (0.48) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2047709 0.85 POLB (0.50) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2052744 0.84 POLB (0.46) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2053242 0.80 POLB (0.49) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2051272 0.80 POLB (0.49) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2052100 0.80 POLB (0.49) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL6922468 0.76 POLB (0.46) POLBPTPN7DUSP3RXFP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed