SCHEMBL6299167

SCHEMBL6299167

C=CCn1c(=S)[nH]c(=O)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
PLK1 P53350 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
ALDH1A1 P00352 6/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
SIRT2 Q8IXJ6 1/20 0.49
KDM4E B2RXH2 3/20 0.48
KCNH2 Q12809 1/20 0.47
KMT2A Q03164 5/20 0.46
HSD17B10 Q99714 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
MEN1 O00255 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
KDM4C Q9H3R0 1/20 0.45
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6299171 0.87 ALDH1A1 (0.44) GAAPLK1APOBEC3GALDH1A1HPGD
SCHEMBL11852024 0.77 APOBEC3G (0.62) APOBEC3GALDH1A1HPGDKDM4EKMT2A
SCHEMBL6294348 0.77 ALDH1A1 (0.53) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL3540980 0.76 KDM4E (0.60) ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL30493502 0.75 ALDH1A1 (0.58) GAAPLK1APOBEC3GALDH1A1KMT2A
SCHEMBL9709253 0.75 ALDH1A1 (0.58) GAAPLK1APOBEC3GALDH1A1KMT2A
SCHEMBL146503 0.74 CYP1A2 (0.56) GAAAPOBEC3GALDH1A1HPGDHTT
SCHEMBL30057865 0.71 MEN1 (0.43) GAAPLK1APOBEC3GALDH1A1HPGD
SCHEMBL8523462 0.71 GAA (0.53) GAAPLK1APOBEC3GALDH1A1HPGD
SCHEMBL9280731 0.70 KDM4E (0.45) ALDH1A1HPGDHTTKDM4EKMT2A

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
US-6872727-B1 Polycyclic pyrimidine -2,4(1H,3H)-diones with functionalized alkyl residues at the 1- and/or 3-position(s); methods for their synthesis and pharmaceutical preparation PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2005-03-29 US disclosed