SCHEMBL4789195

SCHEMBL4789195

CCn1c(=O)n(-c2ccccc2)c2nc(-c3ccc(-c4ccnc(N)c4)cc3)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KHK P50053 3/20 0.40
ROCK2 O75116 2/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 3/20 0.38
USP2 O75604 3/20 0.38
CYP1A2 P05177 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
HIF1A Q16665 2/20 0.38
BRCA1 P38398 1/20 0.38
HBB P68871 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.38
CRHR1 P34998 2/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL4789078 0.88 MAPT (0.44) MAPTTP53KMT2AUSP2CYP1A2
SCHEMBL4786757 0.85 MAPT (0.44) MAPTTP53KMT2AUSP2CYP1A2
SCHEMBL4786029 0.83 MAPT (0.52) MAPTTP53KMT2AUSP2CYP1A2
SCHEMBL4789280 0.83 MAPT (0.41) MAPTTP53KMT2AUSP2CYP1A2
SCHEMBL4788932 0.82 MAPT (0.42) MAPTTP53KMT2AUSP2CYP1A2
SCHEMBL14021050 0.82 MAPT (0.45) MAPTTP53KMT2AUSP2CYP1A2
SCHEMBL4788238 0.81 ALDH1A1 (0.44) MAPTTP53KMT2AUSP2CYP1A2
SCHEMBL4788865 0.80 MAPT (0.43) MAPTTP53KMT2AUSP2CYP1A2
SCHEMBL4789301 0.80 PTGS2 (0.43) MAPTTP53KMT2AUSP2CYP1A2
SCHEMBL4786879 0.78 MAPT (0.41) MAPTTP53KMT2AUSP2CYP1A2

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