SCHEMBL30928895

SCHEMBL30928895

COc1ccc(Cn2c(=O)c(-c3ccccc3)nn(Cc3ccccc3)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ADORA3 P0DMS8 1/20 0.54
NPBWR1 P48145 2/20 0.52
ALDH1A1 P00352 4/20 0.51
ADORA2A P29274 1/20 0.51
MAPT P10636 3/20 0.49
THRB P10828 1/20 0.49
RGS4 P49798 1/20 0.49
RGS8 P57771 1/20 0.49
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47

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
SCHEMBL30928899 0.96 ADORA2A (0.55) MEN1KMT2AHTTNPSR1SMN1; SMN2
SCHEMBL30928887 0.86 ALDH1A1 (0.55) MEN1KMT2AHTTNPSR1SMN1; SMN2
SCHEMBL30928890 0.84 ALDH1A1 (0.65) MEN1KMT2AHTTNPSR1SMN1; SMN2
SCHEMBL30928921 0.83 ALDH1A1 (0.62) MEN1KMT2AHTTNPSR1SMN1; SMN2
SCHEMBL30928909 0.83 TDP2 (0.55) MEN1KMT2AHTTNPSR1SMN1; SMN2
SCHEMBL30928912 0.83 ALDH1A1 (0.57) MEN1KMT2AHTTNPSR1SMN1; SMN2
SCHEMBL30928934 0.82 FAAH (0.50) MEN1KMT2ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL30928916 0.82 ALDH1A1 (0.53) MEN1KMT2AHTTNPSR1SMN1; SMN2
SCHEMBL30928900 0.81 ALDH1A1 (0.52) MEN1KMT2AHTTNPSR1SMN1; SMN2
SCHEMBL30928898 0.79 ALDH1A1 (0.67) MEN1KMT2AHTTNPSR1ALDH1A1

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-118184594-A Preparation method of aza-uracil compound, and compound prepared by same and application of aza-uracil compound 杭州医学院 2024-06-14 CN disclosed