SCHEMBL9854079

SCHEMBL9854079

Cc1ccc(C(=O)c2cccc(C(=O)Nc3ccn4c3CS[C@@H]4c3cccnc3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.63
TBXAS1 P24557 2/20 0.46
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9854083 1.00 PTAFR (0.63) PTAFRTBXAS1TDP1
SCHEMBL9853924 0.93 PTAFR (0.72) PTAFR
SCHEMBL9854105 0.93 PTAFR (0.72) PTAFR
SCHEMBL9854149 0.91 PTAFR (0.63) PTAFRTBXAS1
SCHEMBL9854064 0.91 PTAFR (0.63) PTAFRTBXAS1
SCHEMBL9854025 0.91 PTAFR (0.60) PTAFRTBXAS1
SCHEMBL9854047 0.91 PTAFR (0.60) PTAFRTBXAS1
SCHEMBL9854118 0.91 PTAFR (0.60) PTAFRTBXAS1
SCHEMBL9854048 0.90 PTAFR (0.58) PTAFRTBXAS1
Water SCHEMBL9854026 0.90 PTAFR (0.53) PTAFRTBXAS1TDP1

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-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed