SCHEMBL9854052

SCHEMBL9854052

CCCCNC(=O)Nc1ccn2c1CSC2c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TBXAS1 P24557 2/20 0.45

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
SCHEMBL9853996 0.86 PTAFR (0.51) PTAFR
SCHEMBL9853984 0.86 POLB (0.49) PTAFRPOLBMAPTNPSR1TBXAS1
SCHEMBL11011306 0.85 PTAFR (0.57) PTAFRPOLBMAPTNPSR1TBXAS1
SCHEMBL9854038 0.83 PTAFR (0.54) PTAFRTBXAS1
SCHEMBL9853977 0.81 PTAFR (0.60) PTAFRTBXAS1
SCHEMBL9854014 0.79 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9854016 0.79 PTAFR (0.49) PTAFRTBXAS1
SCHEMBL9854003 0.79 PTAFR (0.51) PTAFRPOLBTBXAS1
SCHEMBL9854108 0.78 PTAFR (0.56) PTAFRTBXAS1
SCHEMBL9853930 0.78 PTAFR (0.64) 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