SCHEMBL30928909

SCHEMBL30928909

CCc1ccc(-c2nn(Cc3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.55
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP2D6 P10635 1/20 0.47
HTT P42858 1/20 0.47
PDE4A P27815 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46

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
SCHEMBL30928916 0.88 ALDH1A1 (0.53) TDP2ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL30928887 0.86 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL30928912 0.86 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL30928890 0.85 ALDH1A1 (0.65) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL30928915 0.85 CYP1A2 (0.54) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL30928924 0.85 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL30928898 0.85 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL30928907 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL30928899 0.84 ADORA2A (0.55) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL30928921 0.84 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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