SCHEMBL6783227

SCHEMBL6783227

CCOCc1nc2c(N)ncc(C)c2n1CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.39
HTR7 P34969 2/20 0.37
TLR8 Q9NR97 5/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRAF P15056 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
NUDT1 P36639 1/20 0.33
MMP7 P09237 1/20 0.33

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
SCHEMBL6774751 0.90 TLR7 (0.43) TLR7TLR8ALDH1A1SMN1; SMN2GAA
SCHEMBL6778433 0.89 TLR7 (0.47) TLR7HTR7TLR8ALDH1A1LMNA
SCHEMBL6775204 0.89 ALDH1A1 (0.45) TLR7HTR7ALDH1A1SMN1; SMN2
SCHEMBL6783864 0.88 TLR7 (0.45) TLR7TLR8ALDH1A1LMNASMN1; SMN2
SCHEMBL6784437 0.87 TLR7 (0.41) TLR7TLR8ALDH1A1HPGDGAA
SCHEMBL6779031 0.85 TLR7 (0.42) TLR7HTR7ALDH1A1
SCHEMBL6775234 0.85 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6779472 0.85 HTR7 (0.40) TLR7HTR7TLR8SMN1; SMN2GAA
SCHEMBL6784344 0.85 TLR7 (0.40) TLR7HTR7TLR8ALDH1A1SMN1; SMN2
SCHEMBL6778425 0.84 TLR7 (0.43) TLR7TLR8NUDT1

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-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed