SCHEMBL6773764

SCHEMBL6773764

CCOCc1nc2c(N)nc(C)cc2n1CCCCNS(=O)(=O)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.38
HTR7 P34969 5/20 0.37
DRD2 P14416 4/20 0.37
HTR6 P50406 4/20 0.37
HTR2A P28223 2/20 0.37
ALDH1A1 P00352 1/20 0.36
BRAF P15056 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 2/20 0.34
SLC6A4 P31645 2/20 0.34
TLR8 Q9NR97 2/20 0.33
ERN1 O75460 2/20 0.33
ABL1 P00519 2/20 0.33
RAF1 P04049 2/20 0.33
FGFR1 P11362 2/20 0.33
FLT3 P36888 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
NTRK2 Q16620 2/20 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
SCHEMBL6778739 0.88 TLR7 (0.40) TLR7ALDH1A1TLR8POLB
SCHEMBL6778344 0.87 TLR7 (0.36) TLR7ALDH1A1TLR8LMNA
SCHEMBL6784556 0.86 TLR7 (0.40) TLR7ALDH1A1SMN1; SMN2TLR8KMT2A
SCHEMBL6779376 0.85 HTR7 (0.38) TLR7HTR7HTR6HTR2AALDH1A1
SCHEMBL6780506 0.85 ALDH1A1 (0.46) TLR7HTR7HTR2AALDH1A1SMN1; SMN2
SCHEMBL6777494 0.85 DRD2 (0.39) TLR7HTR7DRD2HTR6HTR2A
SCHEMBL6774083 0.84 TLR7 (0.40) TLR7TLR8
SCHEMBL6784344 0.84 TLR7 (0.40) TLR7HTR7DRD2HTR6HTR2A
SCHEMBL6783636 0.84 TLR7 (0.39) TLR7HTR7DRD2HTR6HTR2A
SCHEMBL6780023 0.84 TLR7 (0.42) TLR7ALDH1A1TLR8POLBKMT2A

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