SCHEMBL10576397

SCHEMBL10576397

Nc1nc(Cl)c2sc(=O)n([C@@H]3O[C@H](C(O)C(=O)c4ccccc4)[C@](O)(C(=O)c4ccccc4)[C@]3(O)C(=O)c3ccccc3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 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
SCHEMBL10576885 0.84 TLR7 (0.40) TLR7
SCHEMBL10579570 0.82 ALDH1A1 (0.35) TLR7
SCHEMBL9766213 0.79 TLR7 (0.43) TLR7
SCHEMBL9237423 0.73 ABL1 (0.31)
SCHEMBL10768991 0.72
Hydrochloric Acid SCHEMBL11628085 0.72 PDE3A (0.40)
SCHEMBL8915086 0.71 LMNA (0.38)
SCHEMBL8367093 0.70 SMN1; SMN2 (0.33)
SCHEMBL28945305 0.69 CES1 (0.37)
SCHEMBL15422406 0.69 DNMT1 (0.34)

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-4880784-A ANTITUMOR AGENTS BRIGHAM YOUNG UNIVERSITY (US) 1989-11-14 US disclosed