Sugi Predict

Sugi Predict / Compounds / SCHEMBL9854076

SCHEMBL9854076

SCHEMBL9854076

O=C(Nc1ccn2c1CSC2c1cccnc1)c1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.57
▸ CYP11B2 P19099 1/20 0.48
▸ CDK9 P50750 1/20 0.45
▸ TBXAS1 P24557 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL9854020 0.88 PTAFR (0.67) PTAFRTBXAS1
SCHEMBL9853993 0.88 PTAFR (0.57) PTAFRTBXAS1
SCHEMBL9854024 0.87 PTAFR (0.68) PTAFRTBXAS1
SCHEMBL9854077 0.87 PTAFR (0.58) PTAFRTBXAS1MAPT
SCHEMBL9854102 0.86 PTAFR (0.54) PTAFRTBXAS1
SCHEMBL9853930 0.86 PTAFR (0.64) PTAFRTBXAS1ALDH1A1
SCHEMBL9853988 0.86 PTAFR (0.55) PTAFRTBXAS1MEN1MAPTKMT2A
SCHEMBL9854088 0.86 PTAFR (0.55) PTAFRTBXAS1
SCHEMBL9854126 0.85 PTAFR (0.54) PTAFRCYP11B2CDK9TBXAS1
SCHEMBL9854012 0.85 PTAFR (0.54) 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