SCHEMBL6779376

SCHEMBL6779376

CCOCc1nc2c(N)nc(C)cc2n1CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.38
TLR7 Q9NYK1 2/20 0.36
BRAF P15056 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR6 P50406 1/20 0.34
MMP7 P09237 1/20 0.34
S1PR1 P21453 1/20 0.34
CCR1 P32246 1/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 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
SCHEMBL6777494 0.91 DRD2 (0.39) HTR7TLR7ALDH1A1GAAHTR2A
SCHEMBL6784556 0.90 TLR7 (0.40) TLR7ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL6780506 0.88 ALDH1A1 (0.46) HTR7TLR7ALDH1A1HTR1AHTR2A
SCHEMBL6780023 0.87 TLR7 (0.42) TLR7ALDH1A1GAAS1PR1HPGD
SCHEMBL6773764 0.85 TLR7 (0.38) HTR7TLR7BRAFALDH1A1HTR1A
SCHEMBL6768615 0.84 TLR7 (0.39) TLR7MAPT
SCHEMBL6774083 0.84 TLR7 (0.40) TLR7
SCHEMBL6285276 0.83 F2 (0.35) TLR7ALDH1A1HTTGAACA2
SCHEMBL6285270 0.83 F2 (0.35) TLR7ALDH1A1HTTGAACA2
SCHEMBL6285069 0.83 TLR7 (0.48) TLR7

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