SCHEMBL1689133

SCHEMBL1689133

Cc1cccc(-c2ccc(-c3nc4nn(-c5ccccc5)cc4c(=O)n3-c3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
THRB P10828 1/20 0.49
TP53 P04637 2/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
GRM1 Q13255 2/20 0.44
ALDH1A1 P00352 5/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
CNR1 P21554 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
CNR2 P34972 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GRM5 P41594 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5612509 0.96 MAPT (0.62) MAPTTHRBTP53MEN1KMT2A
SCHEMBL1689243 0.92 MAPT (0.51) MAPTTP53MEN1KMT2AHSP90AA1
SCHEMBL1689094 0.91 ALDH1A1 (0.52) MAPTTP53MEN1KMT2AHSP90AA1
SCHEMBL1689138 0.90 ALDH1A1 (0.53) MAPTTP53MEN1KMT2AHSP90AA1
SCHEMBL1688903 0.89 MAPT (0.46) MAPTTHRBTP53MEN1KMT2A
SCHEMBL5611456 0.89 THRB (0.61) MAPTTHRBTP53MEN1KMT2A
SCHEMBL5611687 0.88 MAPT (0.52) MAPTMEN1KMT2AHSP90AA1GRM1
SCHEMBL5611531 0.87 TP53 (0.46) MAPTTHRBTP53MEN1KMT2A
SCHEMBL5611832 0.86 MAPT (0.50) MAPTTHRBTP53MEN1KMT2A
SCHEMBL5612533 0.86 MAPT (0.45) MAPTMEN1KMT2AHSP90AA1GRM1

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