SCHEMBL6780833

SCHEMBL6780833

Cc1nc(N)c2ncn(CCCCNS(=O)(=O)C(C)C)c2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.38
NPY5R Q15761 5/20 0.38
KCNH2 Q12809 3/20 0.34
TLR7 Q9NYK1 2/20 0.34
ADORA2A P29274 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
NUDT1 P36639 1/20 0.34
HTR2B P41595 1/20 0.34
PDE4D Q08499 1/20 0.34
HRH1 P35367 2/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL6780196 0.88 TLR7 (0.37) KCNH2TLR7ADORA2ACA12CA1
SCHEMBL6281980 0.85 CA12 (0.34) NPY5RTLR7ADORA2ACA12CA1
SCHEMBL6778610 0.84 ALDH1A1 (0.38) KCNH2TLR7ADORA2ACA12CA1
SCHEMBL6779152 0.82 TLR7 (0.40) KCNH2TLR7ADORA2ALMNAPOLB
SCHEMBL6783971 0.82 ALDH1A1 (0.44) TLR7LMNAALDH1A1HTR1A
SCHEMBL6779513 0.81 ALDH1A1 (0.38) TLR7ADORA2ACA12CA1CA2
SCHEMBL14516477 0.81 GRIA1 (0.35) GRIA1NPY5RKCNH2TLR7ADORA2A
SCHEMBL4791709 0.80 ALDH1A1 (0.36) KCNH2TLR7ADORA2ALMNAPOLB
SCHEMBL4793952 0.79 ALDH1A1 (0.38) KCNH2TLR7ADORA2ALMNAPOLB
SCHEMBL6774053 0.79 HDAC1 (0.41) TLR7LMNAALDH1A1HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100372846-C Sulfonamido substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-03-05 CN claimed
US-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed