SCHEMBL9854047

SCHEMBL9854047

CCc1ccc(C(=O)c2cccc(C(=O)Nc3ccn4c3CSC4c3cccnc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.60
TBXAS1 P24557 2/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 1/20 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
SCHEMBL9854095 0.91 PTAFR (0.58) PTAFRTBXAS1
SCHEMBL9854083 0.91 PTAFR (0.63) PTAFRTBXAS1
SCHEMBL9854079 0.91 PTAFR (0.63) PTAFRTBXAS1
SCHEMBL9853924 0.91 PTAFR (0.72) PTAFR
SCHEMBL9854105 0.91 PTAFR (0.72) PTAFR
SCHEMBL9854149 0.89 PTAFR (0.63) PTAFRTBXAS1
SCHEMBL9854064 0.89 PTAFR (0.63) PTAFRTBXAS1
SCHEMBL9854025 0.89 PTAFR (0.60) PTAFRTBXAS1NPC1RAB9ASMN1; SMN2
SCHEMBL9854118 0.89 PTAFR (0.60) PTAFRTBXAS1RAB9ASMN1; SMN2
SCHEMBL9853928 0.86 PTAFR (0.56) 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