SCHEMBL21048809

SCHEMBL21048809

Cc1cnc(N(S(C)(=O)=O)S(C)(=O)=O)c(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
LRRK2 Q5S007 2/20 0.33
SLC22A12 Q96S37 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SCN9A Q15858 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL1626886 0.86 PTK2 (0.37) GAAHTTLRRK2KDM4EALDH1A1
SCHEMBL22561920 0.75 KMT2A (0.35) HTTLRRK2SLC22A12KDM4EALDH1A1
Dimethyl Sulfone SCHEMBL17258778 0.73 NOS3 (0.46) GAAHTTKDM4EALDH1A1SCN9A
SCHEMBL17258804 0.70 HCRTR1 (0.40) GAAHTTKDM4EALDH1A1
SCHEMBL7215518 0.69 CHRNB2 (0.42) KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL21048910 0.69 PTK2 (0.40) LRRK2SLC22A12
SCHEMBL17258736 0.69 PTK2 (0.36) GAAHTTLRRK2SLC22A12KDM4E
SCHEMBL21928132 0.67 CYP11B1 (0.38) KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL1627549 0.67 PTPN1 (0.36) GAAHTTKDM4EALDH1A1
SCHEMBL31652674 0.67 PTPN1 (0.36) GAAHTTKDM4EALDH1A1

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
EP-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed