SCHEMBL29645863

SCHEMBL29645863

COc1ccc(-c2nc3c4c(OC)cccc4nc(Nc4ccccnc4=O)n3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
THRB P10828 3/20 0.44
ADORA3 P0DMS8 5/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 2/20 0.39
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CLK4 Q9HAZ1 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
ACP1 P24666 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
SCHEMBL29645660 0.91 MAPT (0.44) MAPTTHRBADORA3POLBKDM4E
SCHEMBL31150008 0.90 THRB (0.42) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645468 0.90 MAPT (0.44) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645991 0.90 MAPT (0.44) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29646050 0.88 MAPT (0.42) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645603 0.88 MAPT (0.46) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645567 0.87 MAPT (0.41) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645487 0.87 MAPT (0.59) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29646084 0.86 MAPT (0.40) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645730 0.85 MAPT (0.52) MAPTTHRBPOLBKDM4EALDH1A1

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
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed