SCHEMBL4744200

SCHEMBL4744200

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSR P00390 6/20 0.46
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALOX5 P09917 2/20 0.37
ABCC1 P33527 2/20 0.37
MCHR1 Q99705 2/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KLK7 P49862 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
SCHEMBL4748220 0.93 GSR (0.48) GSRALDH1A1KDM4EHPGDALOX5
SCHEMBL4743769 0.87 LCK (0.41) GSRALDH1A1KDM4EHPGDMAPT
SCHEMBL4743788 0.85 GSR (0.51) GSRALDH1A1KDM4EHPGDALOX5
SCHEMBL4748253 0.83 GSR (0.48) GSRALDH1A1KDM4EHPGDALOX5
SCHEMBL4747565 0.82 GSR (0.48) GSRALDH1A1KDM4EHPGDHTR1A
SCHEMBL4744199 0.81 KCNH2 (0.48) GSRALDH1A1KDM4EHPGD
SCHEMBL4744753 0.80 ACP1 (0.40) GSRMCHR1
SCHEMBL4744550 0.78 TMEM97 (0.47) GSRALDH1A1KDM4EHPGDHTR1A
SCHEMBL4746265 0.77 GSR (0.61) GSRALDH1A1KDM4EHPGD
SCHEMBL4746291 0.76 TMEM97 (0.49) GSR

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