SCHEMBL9853922

SCHEMBL9853922

S=C(Nc1ccn2c1CSC2c1cccnc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.56
ALDH1A1 P00352 1/20 0.43
TBXAS1 P24557 2/20 0.41

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
SCHEMBL9854080 0.90 PTAFR (0.67) PTAFR
SCHEMBL9853992 0.89 PTAFR (0.53) PTAFRTBXAS1
SCHEMBL9854055 0.88 PTAFR (0.51) PTAFRALDH1A1TBXAS1
SCHEMBL9853930 0.87 PTAFR (0.64) PTAFRALDH1A1TBXAS1
SCHEMBL9853990 0.86 PTAFR (0.49) PTAFRALDH1A1TBXAS1
SCHEMBL9854016 0.86 PTAFR (0.49) PTAFRTBXAS1
SCHEMBL9854014 0.84 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9854104 0.84 PTAFR (0.67) PTAFRTBXAS1
SCHEMBL9854024 0.82 PTAFR (0.68) PTAFRTBXAS1
Nitric Acid SCHEMBL9854098 0.82 PTAFR (0.58) PTAFRALDH1A1TBXAS1

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