SCHEMBL9853957

SCHEMBL9853957

O=C(Nc1ccn2c1CSC2c1cccnc1)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.54
ALDH1A1 P00352 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
SCHEMBL9853930 0.85 PTAFR (0.64) PTAFRALDH1A1
SCHEMBL9854009 0.84 PTAFR (0.49) PTAFR
SCHEMBL9853938 0.84 PTAFR (0.49) PTAFR
SCHEMBL9853977 0.84 PTAFR (0.60) PTAFRALDH1A1
SCHEMBL9854070 0.83 PTAFR (0.56) PTAFRALDH1A1
SCHEMBL9790205 0.83 PTAFR (0.46) PTAFRALDH1A1
SCHEMBL9854038 0.83 PTAFR (0.54) PTAFR
SCHEMBL9854002 0.82 PTAFR (0.59) PTAFR
SCHEMBL9853951 0.82 PTAFR (0.59) PTAFR
SCHEMBL9853975 0.82 PTAFR (0.54) PTAFRALDH1A1

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