SCHEMBL9854055

SCHEMBL9854055

Cc1cccc(C(=S)Nc2ccn3c2CSC3c2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.51
POLB P06746 1/20 0.46
TBXAS1 P24557 2/20 0.44
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9854048 0.89 PTAFR (0.58) PTAFRPOLBTBXAS1
SCHEMBL9853922 0.88 PTAFR (0.56) PTAFRTBXAS1ALDH1A1
SCHEMBL9853990 0.88 PTAFR (0.49) PTAFRTBXAS1ALDH1A1
SCHEMBL9854080 0.86 PTAFR (0.67) PTAFR
SCHEMBL9853992 0.85 PTAFR (0.53) PTAFRTBXAS1
SCHEMBL9854016 0.83 PTAFR (0.49) PTAFRTBXAS1
SCHEMBL9853956 0.82 PTAFR (0.53) PTAFRPOLBTBXAS1
SCHEMBL9854079 0.79 PTAFR (0.63) PTAFRTBXAS1TDP1
SCHEMBL9854083 0.79 PTAFR (0.63) PTAFRTBXAS1TDP1
SCHEMBL9853995 0.79 PTAFR (0.58) PTAFRTBXAS1

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