SCHEMBL30928935

SCHEMBL30928935

O=c1[nH]c(=O)n(Cc2ccccc2)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GLA P06280 1/20 0.48
MAPT P10636 1/20 0.48
DAO P14920 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6476149 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL7656600 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL15563887 0.79 DAO (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2DAO
SCHEMBL7833852 0.79 HPGD (0.53) ALDH1A1MEN1KMT2ANPSR1HTT
SCHEMBL15563837 0.79 GRIA1 (0.49) ALDH1A1MEN1KMT2ANPSR1CYP1A2
SCHEMBL16968255 0.78 DAO (0.54) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL15563840 0.78 DAO (0.54) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL15564177 0.76 CNR1 (0.50) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL15564226 0.75 CNR1 (0.56) ALDH1A1KMT2ANPSR1LMNASMN1; SMN2
SCHEMBL7368621 0.73 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APDE4APDE4B

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