SCHEMBL27708265

SCHEMBL27708265

CCc1nc2cnc3ccccc3c2n1CCCC(C)C.N[SH](=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TLR7 Q9NYK1 8/20 0.42
▸ MAPT P10636 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RECQL P46063 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

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
SCHEMBL27708298 0.94 TSHR (0.54) TSHRMAPK1TLR7MAPTTP53
SCHEMBL20796976 0.82 TLR7 (0.46) TSHRTLR7MAPTTP53GAA
SCHEMBL27708262 0.82 TLR7 (0.63) TLR7TLR8
SCHEMBL1036042 0.82 TLR7 (0.53) TSHRMAPK1TLR7MAPTTP53
SCHEMBL5355677 0.81 MAPT (0.44) TSHRMAPK1TLR7MAPTTP53
SCHEMBL5797750 0.80 TSHR (0.44) TSHRMAPK1TLR7MAPTTP53
SCHEMBL27725059 0.80 TLR7 (0.42) TSHRMAPK1TLR7MAPTTP53
SCHEMBL5352808 0.80 MAPT (0.46) TSHRMAPK1TLR7MAPTTP53
SCHEMBL4320463 0.80 TLR7 (0.50) TSHRMAPK1TLR7MAPTTP53
SCHEMBL8565615 0.80 TSHR (0.47) TSHRMAPK1TLR7MAPTTLR8

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
CN-101014596-A Imidazoquinolinylsulfonamides, imidazopyridinylsulfonamides, and imidazo-1, 5-naphthyridinylsulfonamides 3M INNOVATIVE PROPERTIES CO (US) 2007-08-08 — — CN disclosed
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