SCHEMBL3356083

SCHEMBL3356083

c1cc(-c2cn3c4ccccc4c4ccccc4c3n2)cc(-c2cn3c4ccccc4c4ccccc4c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.46
ADORA1 P30542 4/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIM1 P11309 2/20 0.38
CSNK1D P48730 2/20 0.38
CLK2 P49760 2/20 0.38
STK3 Q13188 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL13325840 0.90 ADORA2A (0.53) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL26909721 0.89 KDM4E (0.41) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL13275848 0.85 ADORA2A (0.39) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL11886018 0.83 ADORA2A (0.35) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL11886010 0.78 ALDH1A3 (0.38) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL11886025 0.77 ALDH1A3 (0.37) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL13309569 0.76 CYP1A2 (0.38) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL11886027 0.75 ADORA2A (0.34) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL24088242 0.75 ALDH1A1 (0.51) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL22781183 0.75 ALDH1A1 (0.51) ADORA2AADORA1KDM4EALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010215759-A ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY, LIGHTING DEVICE, AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT KONICA MINOLTA HOLDINGS INC 2010-09-30 JP disclosed