SCHEMBL6778739

SCHEMBL6778739

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.40
TLR8 Q9NR97 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
SCN9A Q15858 1/20 0.35
GLO1 Q04760 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
MAPT P10636 3/20 0.35
TRIM24 O15164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
BRD1 O95696 1/20 0.35
BRPF1 P55201 1/20 0.35
S1PR1 P21453 1/20 0.34
APLNR P35414 4/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL6780023 0.91 TLR7 (0.42) TLR7TLR8MAPTBRPF1S1PR1
SCHEMBL6773764 0.88 TLR7 (0.38) TLR7TLR8ALDH1A1POLB
SCHEMBL6779938 0.85 TLR7 (0.41) TLR7TLR8RXFP1SCN9AGLO1
SCHEMBL6784556 0.84 TLR7 (0.40) TLR7TLR8MAPTKDM4EALDH1A1
SCHEMBL6780382 0.84 TLR7 (0.44) TLR7TLR8RXFP1SCN9AGLO1
SCHEMBL6780506 0.83 ALDH1A1 (0.46) TLR7ALDH1A1USP2POLBPKM
SCHEMBL6774083 0.82 TLR7 (0.40) TLR7TLR8
SCHEMBL6779139 0.82 TLR7 (0.44) TLR7TLR8ALDH1A1HPGD
SCHEMBL6779376 0.82 HTR7 (0.38) TLR7MAPTS1PR1ALDH1A1POLB
SCHEMBL6779163 0.82 SCN1A (0.44) TLR7TLR8KDM4EALDH1A1HSD17B10

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