SCHEMBL4563757

SCHEMBL4563757

O=C(O)Cn1c(=O)[nH]c2cccnc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
DAO P14920 1/20 0.44
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
CMA1 P23946 1/20 0.41
PARP1 P09874 3/20 0.41
ADRA1B P35368 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPK14 Q16539 1/20 0.39
APEX1 P27695 1/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL9981108 0.82 DAO (0.58) KDM4EALDH1A1HPGDDAOMAPK1
SCHEMBL3311126 0.81 KDM4E (0.46) KDM4EALDH1A1DAOADORA3ADORA2A
SCHEMBL30970867 0.78 ADORA3 (0.62) ALDH1A1HPGDDAOHSD17B10ADORA3
SCHEMBL4316407 0.77 FEN1 (0.60) KDM4EALDH1A1HPGDDAOSMN1; SMN2
SCHEMBL28985781 0.77 ADORA3 (0.48) KDM4EDAOADORA3ADORA2AADORA1
SCHEMBL30394101 0.77 ADORA3 (0.48) KDM4EDAOADORA3ADORA2AADORA1
SCHEMBL11868273 0.76 ADORA3 (0.53) KDM4EALDH1A1HPGDHSD17B10ADORA3
SCHEMBL3311524 0.76 ALDH1A1 (0.73) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL7022436 0.74 DAO (0.41) KDM4EALDH1A1HPGDDAOADORA3
SCHEMBL7022440 0.74 DAO (0.41) KDM4EALDH1A1HPGDDAOADORA3

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
EP-2132186-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis AG (CH) 2009-12-16 EP disclosed
WO-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 WO disclosed