SCHEMBL6779938

SCHEMBL6779938

CCOCc1nc2c(N)ncc(C)c2n1CCCCNS(=O)(=O)c1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.41
TLR8 Q9NR97 2/20 0.40
GLO1 Q04760 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
KDM4E B2RXH2 4/20 0.36
APLNR P35414 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SCN9A Q15858 1/20 0.34
KLKB1 P03952 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6784437 0.91 TLR7 (0.41) TLR7TLR8KDM4EKMT2AMAPT
SCHEMBL6784344 0.88 TLR7 (0.40) TLR7TLR8ALDH1A1
SCHEMBL6778433 0.88 TLR7 (0.47) TLR7TLR8KDM4EMAPTPKM
SCHEMBL6780382 0.86 TLR7 (0.44) TLR7TLR8GLO1SLC40A1KDM4E
SCHEMBL6779031 0.86 TLR7 (0.42) TLR7ALDH1A1
SCHEMBL6778739 0.85 TLR7 (0.40) TLR7TLR8GLO1SLC40A1KDM4E
SCHEMBL6774751 0.84 TLR7 (0.43) TLR7TLR8PKMALDH1A1
SCHEMBL6779968 0.84 MCHR1 (0.47) TLR7TLR8
SCHEMBL6783864 0.83 TLR7 (0.45) TLR7TLR8ALDH1A1
SCHEMBL6782531 0.83 CCR3 (0.42) TLR7TLR8RXFP1MAPT

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