SCHEMBL9854005

SCHEMBL9854005

COc1cc(OC)cc(C(=O)Nc2ccn3c2CSC3c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.53
ABCB1 P08183 1/20 0.48
MAPT P10636 1/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TBXAS1 P24557 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 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
SCHEMBL9853960 0.93 PTAFR (0.56) PTAFRABCB1KMT2APOLBTSHR
SCHEMBL9854130 0.92 PTAFR (0.51) PTAFRABCB1KMT2APOLBTSHR
SCHEMBL9854118 0.87 PTAFR (0.60) PTAFRPOLBTSHRSMN1; SMN2TBXAS1
Water SCHEMBL9853929 0.86 LMNA (0.52) PTAFRABCB1MAPTGAAKMT2A
SCHEMBL9854014 0.86 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9853928 0.86 PTAFR (0.56) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9853911 0.86 PTAFR (0.56) PTAFRTBXAS1ALDH1A1
SCHEMBL9854068 0.86 PTAFR (0.56) PTAFRKMT2ATSHRSMN1; SMN2TBXAS1
SCHEMBL9853954 0.86 PTAFR (0.56) PTAFRKMT2ATSHRSMN1; SMN2TBXAS1
SCHEMBL9854022 0.86 PTAFR (0.52) PTAFRGAAPOLBTSHRSMN1; 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