SCHEMBL1689325

SCHEMBL1689325

O=c1c2cn(-c3ccccc3)nc2nc(-c2ccc(-c3cccnn3)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
CNR2 P34972 1/20 0.41
PTGS2 P35354 5/20 0.40
ALDH1A1 P00352 4/20 0.40
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
GAA P10253 2/20 0.39
GPR35 Q9HC97 1/20 0.39
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
MDM2 Q00987 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
HTT P42858 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
SCHEMBL5611687 0.87 MAPT (0.52) MAPTMEN1HSP90AA1KMT2ACNR1
SCHEMBL1689243 0.87 MAPT (0.51) MAPTMEN1HSP90AA1KMT2ACNR1
SCHEMBL1689138 0.85 ALDH1A1 (0.53) MAPTMEN1HSP90AA1KMT2ACNR1
SCHEMBL5611833 0.85 MAPT (0.41) MAPTMEN1HSP90AA1KMT2ACNR1
SCHEMBL5611446 0.85 MAPT (0.43) MAPTMEN1HSP90AA1KMT2ACNR1
SCHEMBL1689427 0.84 MAPT (0.44) MAPTMEN1HSP90AA1KMT2ACNR1
SCHEMBL1688969 0.84 MAPT (0.49) MAPTMEN1HSP90AA1KMT2ACNR1
SCHEMBL1689094 0.84 ALDH1A1 (0.52) MAPTMEN1HSP90AA1KMT2ACNR1
SCHEMBL1689182 0.84 MAPT (0.43) MAPTMEN1HSP90AA1KMT2ACNR1
SCHEMBL1688916 0.84 LMNA (0.44) MAPTMEN1HSP90AA1KMT2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO disclosed