SCHEMBL30928896

SCHEMBL30928896

CC(C)c1nn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
PDE5A O76074 1/20 0.46
KMT2A Q03164 2/20 0.44
ADORA3 P0DMS8 4/20 0.43
LGMN Q99538 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL30928908 0.90 PTGER4 (0.46) TDP1KMT2AALDH1A1MEN1RECQL
SCHEMBL7821971 0.80 KDM4E (0.53) KMT2AALDH1A1HPGDMEN1LMNA
SCHEMBL31122794 0.79 KMT2A (0.42) KMT2AADORA3LGMNADORA2AADORA2B
SCHEMBL30928907 0.78 ALDH1A1 (0.49) TDP1KMT2AALDH1A1MEN1LMNA
SCHEMBL30928929 0.76 GRN (0.46) KMT2AADORA3ADORA2AADORA2BADORA1
SCHEMBL31122799 0.75 MAPT (0.44) KMT2AADORA3ADORA2AADORA2BADORA1
SCHEMBL31122820 0.74 ADORA3 (0.41) KMT2AADORA3LGMNADORA2AADORA2B
SCHEMBL31122798 0.74 ADORA3 (0.41) KMT2AADORA3LGMNADORA2AADORA2B
SCHEMBL31122808 0.74 GSK3B (0.41) KMT2AADORA3ADORA2AADORA2BADORA1
SCHEMBL31122803 0.74 ADORA3 (0.41) KMT2AADORA3LGMNADORA2AADORA2B

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