SCHEMBL7690435

SCHEMBL7690435

COc1ccc(Nc2cnc3cc4ccccc4cc3n2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.59
PDGFRA P16234 5/20 0.59
MAPT P10636 6/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 2/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
TTK P33981 1/20 0.48

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
SCHEMBL7692274 0.77 PDGFRB (0.71) PDGFRBPDGFRAMAPTMAPK1
SCHEMBL4641001 0.75 MAPT (0.58) PDGFRBPDGFRAMAPTKDM4EALDH1A1
SCHEMBL1401415 0.74 PDGFRB (1.00) PDGFRBPDGFRAMAPTKDM4EALDH1A1
SCHEMBL3909786 0.73 PDGFRB (1.00) PDGFRBPDGFRAMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL3884102 0.73 PDGFRB (0.97) PDGFRBPDGFRAMAPTKDM4EALDH1A1
SCHEMBL7690376 0.72 PDGFRB (0.49) PDGFRBPDGFRAMAPTGAAMEN1
SCHEMBL7697609 0.72 MAPK10 (0.50) PDGFRBPDGFRAMAPTKDM4EALDH1A1
SCHEMBL7699339 0.71 PDGFRB (0.46) PDGFRBPDGFRALMNAMAPK1
SCHEMBL16332893 0.71 GABRG2 (0.53) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL7699357 0.71 KMT2A (0.62) MAPTKDM4EGAAMEN1KMT2A

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
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed