SCHEMBL4743769

SCHEMBL4743769

CN(C)c1ccc(-n2c3nc(=O)n(CCCN4CCOCC4)c(=O)c-3nc3ccc(NCCCN4CCOCC4)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.41
RAD52 P43351 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSR P00390 1/20 0.38
MET P08581 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 2/20 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
SCHEMBL4744753 0.93 ACP1 (0.40) GSRMC4R
SCHEMBL4744200 0.87 GSR (0.46) GSRALDH1A1KDM4EMAPTHPGD
SCHEMBL14069128 0.84 MC4R (0.41) GSRALDH1A1KDM4EMEN1KMT2A
SCHEMBL4744848 0.83 GSR (0.40) GSRTLR9MC4R
SCHEMBL4748222 0.82 HRH3 (0.47) L3MBTL1GSRALDH1A1TLR9TLR7
SCHEMBL4748220 0.80 GSR (0.48) GSRALDH1A1KDM4EHPGDMC4R
SCHEMBL4747148 0.79 HRH3 (0.39) LCKRAD52L3MBTL1MAPTMEN1
SCHEMBL4743737 0.77 GSR (0.48) RAD52GSRALDH1A1HSD17B10CYP3A4
SCHEMBL4743800 0.77 HRH3 (0.38) LCKMC4R
SCHEMBL4743788 0.73 GSR (0.51) GSRALDH1A1KDM4EHPGD

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
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed