SCHEMBL4744199

SCHEMBL4744199

COc1ccc(-n2c3nc(=O)n(CCCN4CCCC4)c(=O)c-3nc3ccc(Cl)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.48
HRH3 Q9Y5N1 7/20 0.48
GSR P00390 6/20 0.48
ALDH1A1 P00352 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MC4R P32245 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41
NPY1R P25929 1/20 0.41

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
SCHEMBL4748253 0.89 GSR (0.48) GSRALDH1A1KDM4EHPGDMC4R
SCHEMBL4747565 0.88 GSR (0.48) GSRALDH1A1KDM4EHPGDTMEM97
SCHEMBL4748220 0.88 GSR (0.48) KCNH2HRH3GSRALDH1A1KDM4E
SCHEMBL4748222 0.87 HRH3 (0.47) KCNH2HRH3GSRALDH1A1RXFP1
SCHEMBL4744550 0.85 TMEM97 (0.47) KCNH2GSRALDH1A1TDP1KDM4E
SCHEMBL4746291 0.83 TMEM97 (0.49) KCNH2GSRTDP1MC4RTMEM97
SCHEMBL4744200 0.81 GSR (0.46) GSRALDH1A1KDM4EHPGD
SCHEMBL14069128 0.75 MC4R (0.41) KCNH2HRH3GSRALDH1A1KDM4E
SCHEMBL4743788 0.75 GSR (0.51) GSRALDH1A1KDM4EHPGD
SCHEMBL4746265 0.75 GSR (0.61) 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