SCHEMBL9853977

SCHEMBL9853977

O=C(Nc1ccccc1)Nc1ccn2c1CSC2c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.60
ALDH1A1 P00352 1/20 0.45
TBXAS1 P24557 2/20 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
SCHEMBL9854020 0.89 PTAFR (0.67) PTAFRTBXAS1
SCHEMBL9853930 0.86 PTAFR (0.64) PTAFRALDH1A1TBXAS1
SCHEMBL9854038 0.85 PTAFR (0.54) PTAFRTBXAS1
SCHEMBL9853996 0.84 PTAFR (0.51) PTAFRALDH1A1
SCHEMBL11008084 0.84 PTAFR (0.81) PTAFRTBXAS1
SCHEMBL9853975 0.84 PTAFR (0.54) PTAFRALDH1A1
SCHEMBL9853957 0.84 PTAFR (0.54) PTAFRALDH1A1
SCHEMBL9854014 0.83 PTAFR (0.59) PTAFRTBXAS1
Water SCHEMBL9853942 0.83 PTAFR (0.72) PTAFRTBXAS1
SCHEMBL9854104 0.83 PTAFR (0.67) 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