SCHEMBL4786830

SCHEMBL4786830

Cc1ccc(-c2nc3c([nH]c(=O)n3-c3ccccc3)c(=O)n2-c2ccc(Br)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
CSNK2A1 P68400 3/20 0.49
DHFR P00374 2/20 0.49
ALDH1A1 P00352 7/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM1 Q13255 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL4788964 0.90 MAPT (0.50) MAPTCSNK2A1DHFRALDH1A1KMT2A
SCHEMBL4788538 0.89 MAPT (0.60) MAPTDHFRALDH1A1RXFP1MEN1
SCHEMBL4788288 0.79 DHFR (0.52) MAPTCSNK2A1DHFRALDH1A1MEN1
SCHEMBL1689007 0.79 MAPT (0.64) MAPTDHFRALDH1A1RXFP1MEN1
SCHEMBL12088423 0.79 MAPT (0.64) MAPTDHFRALDH1A1RXFP1GAA
SCHEMBL14021034 0.78 DHFR (0.51) MAPTCSNK2A1DHFRALDH1A1RXFP1
SCHEMBL14020392 0.77 CSNK2A1 (0.44) MAPTCSNK2A1ALDH1A1MEN1KMT2A
SCHEMBL1689034 0.76 MAPT (0.61) MAPTDHFRALDH1A1RXFP1GAA
SCHEMBL1753211 0.76 MAPT (1.00) MAPTALDH1A1NPSR1LMNATP53
SCHEMBL1689171 0.76 MAPT (0.61) MAPTDHFRALDH1A1RXFP1MEN1

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