SCHEMBL6929530

SCHEMBL6929530

NCCCCc1nc2cnc3cccnc3c2n1CCCCNC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.43
ANPEP P15144 1/20 0.42
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.39
ENPP2 Q13822 1/20 0.39
TGM2 P21980 1/20 0.39
CPB1 P15086 1/20 0.39
CPB2 Q96IY4 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
GHSR Q92847 5/20 0.38
FAAH O00519 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL7089565 0.82 TLR7 (0.47) MEN1KMT2ATLR8TLR7
SCHEMBL7252628 0.81 EPHX2 (0.43) MEN1KMT2ARAB9A
SCHEMBL3351725 0.80 TLR7 (0.53) TLR8TLR7
SCHEMBL6283963 0.77 TP53 (0.48) HTTMEN1GAAKMT2AENPP2
SCHEMBL3355952 0.76 TLR7 (0.48) STING1HTTMEN1GAAKMT2A
SCHEMBL5129239 0.76 STING1 (0.46) STING1BRD4TLR8TLR7
SCHEMBL6927938 0.75 HDAC3 (0.34) HTTMEN1GAAKMT2AENPP2
SCHEMBL4309229 0.74 STING1 (0.46) STING1HTTMEN1GAAKMT2A
SCHEMBL5124567 0.73 STING1 (0.46) STING1BRD4TLR7
SCHEMBL3352560 0.73 MAPT (0.51) HTTGAAENPP2

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-6518280-B2 Antiviral and antitumor properties; immunomodulators and for inducing cytokine biosynthesis in animals 3M INNOVATIVE PROPERTIES COMPANY 2003-02-11 US disclosed