SCHEMBL9854022

SCHEMBL9854022

COc1ccc(OC)c(C(=O)Nc2ccn3c2CSC3c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.52
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TBXAS1 P24557 2/20 0.45
LRRK2 Q5S007 1/20 0.43
GAA P10253 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
SCHEMBL9853988 0.89 PTAFR (0.55) PTAFRPOLBTBXAS1
SCHEMBL9854130 0.87 PTAFR (0.51) PTAFRPOLBTSHRSMN1; SMN2TBXAS1
SCHEMBL9853960 0.86 PTAFR (0.56) PTAFRPOLBTSHRSMN1; SMN2TBXAS1
SCHEMBL9854005 0.86 PTAFR (0.53) PTAFRPOLBTSHRSMN1; SMN2TBXAS1
Water SCHEMBL9853929 0.85 LMNA (0.52) PTAFRPOLBTSHRSMN1; SMN2TBXAS1
SCHEMBL9853980 0.85 PTAFR (0.57) PTAFRTBXAS1
Water SCHEMBL9854050 0.84 POLB (0.52) PTAFRPOLBSMN1; SMN2TBXAS1
Water SCHEMBL9854045 0.84 POLB (0.52) PTAFRPOLBSMN1; SMN2TBXAS1
SCHEMBL10688871 0.83 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9854118 0.82 PTAFR (0.60) PTAFRPOLBTSHRSMN1; SMN2TBXAS1

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