SCHEMBL5408137

SCHEMBL5408137

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccc(S(N)(=O)=O)c3)n(Cc3cccc4ccccc34)nc21

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 4/20 0.47
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 2/20 0.41
MAPKAPK2 P49137 1/20 0.41
CAMK2B Q13554 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
PDE5A O76074 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
BRD4 O60885 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36

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
SCHEMBL5417883 0.91 SLC16A1 (0.45) SLC16A1ALDH1A1KDM4EMAPTCYP2C9
SCHEMBL5415204 0.89 SLC16A1 (0.44) SLC16A1ALDH1A1KDM4EMAPTCYP2C9
SCHEMBL5400204 0.89 SLC16A1 (0.42) SLC16A1ALDH1A1KDM4EMAPTCYP2C9
SCHEMBL5403826 0.88 SLC16A1 (0.44) SLC16A1ALDH1A1MAPTCYP2C9MAPKAPK2
SCHEMBL5400640 0.88 SLC16A1 (0.54) SLC16A1ALDH1A1MAPTCYP2C9MAPKAPK2
SCHEMBL5411174 0.87 SLC16A1 (0.49) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5407668 0.87 SLC16A1 (0.49) SLC16A1ALDH1A1MAPTCYP2C9MAPKAPK2
SCHEMBL5408224 0.87 SLC16A1 (0.49) SLC16A1ALDH1A1MAPTCYP2C9MAPKAPK2
SCHEMBL5393962 0.86 SLC16A1 (0.47) SLC16A1ALDH1A1MAPTCYP2C9MAPKAPK2
SCHEMBL5400149 0.86 SLC16A1 (0.49) SLC16A1ALDH1A1MAPTCYP2C9MAPKAPK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed