SCHEMBL6780086

SCHEMBL6780086

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.41
TLR8 Q9NR97 5/20 0.41
NUDT1 P36639 1/20 0.40
HTR2B P41595 4/20 0.40
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PHGDH O43175 1/20 0.36
TGFBR1 P36897 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PIK3CD O00329 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6783346 0.91 TLR7 (0.38) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL6780432 0.90 KMT2A (0.43) TLR7TLR8NUDT1SMN1; SMN2MEN1
SCHEMBL6779825 0.89 MEN1 (0.40) TLR7TLR8TSHRSMN1; SMN2MEN1
SCHEMBL6780316 0.86 TLR7 (0.38) TLR7TLR8NUDT1TSHRTGFBR1
SCHEMBL6282958 0.86 TLR7 (0.36) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL6282956 0.86 TLR7 (0.36) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL6281876 0.85 TLR7 (0.38) TLR7TLR8NUDT1
SCHEMBL6284763 0.82 ALDH1A1 (0.39) TLR7TLR8NUDT1ALDH1A1GAA
SCHEMBL6780878 0.82 TLR7 (0.36) TLR7TLR8NUDT1TGFBR1
SCHEMBL6774414 0.82 MAPK1 (0.47) TSHRSMN1; SMN2ALDH1A1GAA

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