SCHEMBL1688932

SCHEMBL1688932

Nc1ccnc(-c2ccc(-c3nc4nn(-c5ccccc5)cc4c(=O)n3-c3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ASIC3 Q9UHC3 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ADORA3 P0DMS8 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ADORA2A P29274 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
PTGS2 P35354 3/20 0.37
PTGS1 P23219 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
GRM5 P41594 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
SCHEMBL1688944 0.88 PKM (0.46) MAPTMEN1KMT2AGAAHSP90AA1
SCHEMBL1688916 0.85 LMNA (0.44) MAPTMEN1KMT2AGAAHSP90AA1
SCHEMBL5611687 0.84 MAPT (0.52) MAPTMEN1KMT2AGAAHSP90AA1
SCHEMBL1689243 0.84 MAPT (0.51) MAPTMEN1KMT2AGAAHSP90AA1
SCHEMBL5611446 0.84 MAPT (0.43) MAPTMEN1KMT2AGAAHSP90AA1
SCHEMBL5611833 0.84 MAPT (0.41) MAPTASIC3MEN1KMT2AGAA
SCHEMBL1689427 0.84 MAPT (0.44) MAPTMEN1KMT2AGAAHSP90AA1
SCHEMBL1689138 0.82 ALDH1A1 (0.53) MAPTMEN1KMT2AGAAHSP90AA1
SCHEMBL1689325 0.82 MAPT (0.41) MAPTMEN1KMT2AGAAHSP90AA1
SCHEMBL1689071 0.82 AOC3 (0.45) MAPTMEN1KMT2AHSP90AA1ADORA3

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