SCHEMBL4786905

SCHEMBL4786905

CC(C)c1ccc(-c2nc3c(c(=O)n2-c2ccc(Cl)cc2)n(CCN)c(=O)n3-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
EGFR P00533 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ADORA2B P29275 1/20 0.37
USP2 O75604 2/20 0.36
CYP1A2 P05177 2/20 0.36
CASP1 P29466 2/20 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
SCHEMBL14021050 0.89 MAPT (0.45) DHFRMAPTTP53GRM5GRM1
SCHEMBL4788717 0.89 MAPT (0.42) DHFRMAPTTP53GRM5GRM1
SCHEMBL4787320 0.87 MAPT (0.41) DHFRMAPTTP53GRM5GRM1
SCHEMBL4788795 0.86 MAPT (0.42) DHFRMAPTTP53GRM5GRM1
SCHEMBL4788000 0.86 LMNA (0.40) DHFRMAPTTP53GRM5GRM1
SCHEMBL4789117 0.84 TP53 (0.40) DHFRMAPTTP53THRBRXFP1
SCHEMBL4788897 0.80 DHFR (0.44) DHFRMAPTTP53GRM5GRM1
SCHEMBL4786029 0.79 MAPT (0.52) DHFRMAPTTP53GRM5GRM1
SCHEMBL4789078 0.76 MAPT (0.44) MAPTTP53GRM5GRM1THRB
SCHEMBL4788865 0.76 MAPT (0.43) MAPTTP53GRM5GRM1THRB

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