SCHEMBL9854012

SCHEMBL9854012

O=C(Nc1ccn2c1CSC2c1cccnc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.54
LMNA P02545 1/20 0.46
HTT P42858 2/20 0.45
GAA P10253 1/20 0.44
NCOA1 Q15788 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
TBXAS1 P24557 2/20 0.42

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
Nitric Acid SCHEMBL9854098 0.85 PTAFR (0.58) PTAFRTBXAS1
SCHEMBL9853993 0.85 PTAFR (0.57) PTAFRTBXAS1
SCHEMBL9854076 0.85 PTAFR (0.57) PTAFRTBXAS1
SCHEMBL9854020 0.85 PTAFR (0.67) PTAFRTBXAS1
SCHEMBL9854077 0.83 PTAFR (0.58) PTAFRSMN1; SMN2TBXAS1
SCHEMBL9854024 0.83 PTAFR (0.68) PTAFRTBXAS1
SCHEMBL9853930 0.83 PTAFR (0.64) PTAFRTBXAS1
SCHEMBL9853988 0.83 PTAFR (0.55) PTAFRTBXAS1
SCHEMBL9854088 0.83 PTAFR (0.55) PTAFRTBXAS1
SCHEMBL9853959 0.82 PTAFR (0.55) PTAFRLMNAHTTGAASMN1; SMN2

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