SCHEMBL21159259

SCHEMBL21159259

CS(=O)(=O)c1nc(N)c2nnn(I)c2n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.36
▸ FBP1 P09467 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL29388765 0.68 CDK1 (0.57) TLR7FBP1CA12CA2CA9
SCHEMBL7753780 0.65 LMNA (0.52) CA12CA2CA9
SCHEMBL24773616 0.64 LMNA (0.43) TLR7CA12CA2CA9
SCHEMBL14767779 0.63 FBP1 (0.35) FBP1
SCHEMBL30730952 0.63 TLR7 (0.32) TLR7FBP1CA12CA2CA9
SCHEMBL18067288 0.62 LMNA (0.35) TLR7CA12CA2CA9
SCHEMBL24701697 0.61 PI4KA (0.47) TLR7CA12CA2CA9
SCHEMBL29487215 0.61 PI4KA (0.47) TLR7CA12CA2CA9
SCHEMBL11880705 0.61 LMNA (0.38) TLR7CA12CA2CA9
SCHEMBL10514950 0.61 LMNA (0.38) TLR7CA12CA2CA9

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 — — EP disclosed
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