SCHEMBL1688944

SCHEMBL1688944

Nc1nccc(-c2ccc(-c3nc4nn(-c5ccccc5)cc4c(=O)n3-c3ccc(Cl)cc3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ADORA2A P29274 3/20 0.40
HSP90AA1 P07900 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
AURKA O14965 1/20 0.40
PRKACA P17612 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL1688916 0.90 LMNA (0.44) ALDH1A1MAPTKDM4EHSP90AA1RAB9A
SCHEMBL1688932 0.88 MAPT (0.40) ALDH1A1MAPTKDM4EADORA2AHSP90AA1
SCHEMBL5611833 0.87 MAPT (0.41) ALDH1A1MAPTADORA2AHSP90AA1RAB9A
SCHEMBL5611446 0.87 MAPT (0.43) ALDH1A1MAPTHSP90AA1MEN1KMT2A
SCHEMBL5611687 0.85 MAPT (0.52) PKMALDH1A1MAPTKDM4EHSP90AA1
SCHEMBL1689243 0.85 MAPT (0.51) ALDH1A1MAPTKDM4EADORA2AHSP90AA1
SCHEMBL1689427 0.84 MAPT (0.44) ALDH1A1MAPTHSP90AA1RAB9AMEN1
SCHEMBL1689138 0.83 ALDH1A1 (0.53) ALDH1A1MAPTHSP90AA1RAB9AAURKA
SCHEMBL1689325 0.83 MAPT (0.41) ALDH1A1MAPTHSP90AA1MEN1KMT2A
SCHEMBL1689071 0.83 AOC3 (0.45) ALDH1A1MAPTKDM4EADORA2AHSP90AA1

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-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