SCHEMBL4789280

SCHEMBL4789280

CCn1c(=O)n(-c2ccccc2)c2nc(-c3ccc(-c4ccc(N)nc4C)cc3)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MAPK8 P45983 1/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
USP2 O75604 3/20 0.37
CYP1A2 P05177 3/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 3/20 0.37
HIF1A Q16665 2/20 0.37
BRCA1 P38398 1/20 0.37
HBB P68871 1/20 0.37
NPC1 O15118 2/20 0.37
ADORA2B P29275 1/20 0.35

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
SCHEMBL4789078 0.86 MAPT (0.44) MAPTMAPK8KMT2AALDH1A1HPGD
SCHEMBL4786029 0.84 MAPT (0.52) MAPTMAPK8KMT2AALDH1A1HPGD
SCHEMBL4789195 0.83 MAPT (0.42) MAPTMAPK8KMT2AALDH1A1HPGD
SCHEMBL14021050 0.83 MAPT (0.45) MAPTMAPK8KMT2AALDH1A1HPGD
SCHEMBL4788932 0.81 MAPT (0.42) MAPTMAPK8KMT2AALDH1A1HPGD
SCHEMBL4788865 0.81 MAPT (0.43) MAPTMAPK8KMT2AALDH1A1HPGD
SCHEMBL4786757 0.81 MAPT (0.44) MAPTMAPK8KMT2AALDH1A1HPGD
SCHEMBL4788342 0.80 CRHR1 (0.46) MAPTMAPK8ALDH1A1HPGDTP53
SCHEMBL4789301 0.79 PTGS2 (0.43) MAPTKMT2AALDH1A1HPGDTP53
SCHEMBL4786879 0.79 MAPT (0.41) MAPTMAPK8KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO claimed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed