SCHEMBL6778433

SCHEMBL6778433

CCOCc1nc2c(N)ncc(C)c2n1CCCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.47
TLR8 Q9NR97 8/20 0.42
NUDT1 P36639 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.35
MAPT P10636 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
SCHEMBL6783864 0.95 TLR7 (0.45) TLR7TLR8NUDT1ALDH1A1TSHR
SCHEMBL6774751 0.92 TLR7 (0.43) TLR7TLR8NUDT1ALDH1A1PKM
SCHEMBL6779031 0.91 TLR7 (0.42) TLR7ALDH1A1HTR1AHTR7
SCHEMBL6775204 0.91 ALDH1A1 (0.45) TLR7ALDH1A1PKMSMN1; SMN2HTR1A
SCHEMBL6784344 0.90 TLR7 (0.40) TLR7TLR8ALDH1A1SMN1; SMN2HTR7
SCHEMBL6783227 0.89 TLR7 (0.39) TLR7TLR8NUDT1ALDH1A1LMNA
SCHEMBL6784437 0.89 TLR7 (0.41) TLR7TLR8ALDH1A1KDM4EMAPT
SCHEMBL6779938 0.88 TLR7 (0.41) TLR7TLR8ALDH1A1KDM4EPKM
SCHEMBL6778425 0.88 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6778051 0.88 TLR7 (0.46) TLR7TLR8NUDT1ALDH1A1KDM4E

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