SCHEMBL9853956

SCHEMBL9853956

Cc1cccc(Oc2cccc(C(=O)Nc3ccn4c3CSC4c3cccnc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.53
TBXAS1 P24557 2/20 0.47
GRM5 P41594 2/20 0.44
POLB P06746 1/20 0.44
GCK P35557 1/20 0.44

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
SCHEMBL9853964 0.94 PTAFR (0.52) PTAFRTBXAS1GCK
SCHEMBL9853951 0.92 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9854002 0.92 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9854048 0.92 PTAFR (0.58) PTAFRTBXAS1POLB
SCHEMBL9853960 0.90 PTAFR (0.56) PTAFRTBXAS1POLB
SCHEMBL9854063 0.90 PTAFR (0.53) PTAFRTBXAS1GCK
SCHEMBL9853911 0.88 PTAFR (0.56) PTAFRTBXAS1
SCHEMBL9854068 0.88 PTAFR (0.56) PTAFRTBXAS1
SCHEMBL9853954 0.88 PTAFR (0.56) PTAFRTBXAS1
SCHEMBL9853908 0.87 PTAFR (0.53) 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