SCHEMBL27708298

SCHEMBL27708298

CCc1nc2cnc3ccccc3c2n1CCC(C)C.N[SH](=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TLR7 Q9NYK1 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ TP53 P04637 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ POLB P06746 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ADORA2A P29274 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
SCHEMBL27708265 0.94 TSHR (0.47) TSHRMAPK1TLR7ALDH1A1SMN1; SMN2
SCHEMBL5797750 0.83 TSHR (0.44) TSHRMAPK1TLR7ALDH1A1SMN1; SMN2
SCHEMBL27708256 0.81 TLR7 (0.61) TSHRMAPK1TLR7TLR8
SCHEMBL6718929 0.81 TLR8 (0.47) TSHRMAPK1TLR7ALDH1A1SMN1; SMN2
SCHEMBL20796976 0.81 TLR7 (0.46) TSHRTLR7SMN1; SMN2PDE10ARECQL
SCHEMBL8565615 0.81 TSHR (0.47) TSHRMAPK1TLR7ALDH1A1SMN1; SMN2
SCHEMBL1036042 0.80 TLR7 (0.53) TSHRMAPK1TLR7SMN1; SMN2PDE10A
SCHEMBL5355677 0.80 MAPT (0.44) TSHRMAPK1TLR7ALDH1A1SMN1; SMN2
SCHEMBL5635079 0.80 TSHR (0.44) TSHRMAPK1TLR7ALDH1A1SMN1; SMN2
SCHEMBL5352808 0.79 MAPT (0.46) TSHRMAPK1TLR7ALDH1A1SMN1; SMN2

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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