Sugi Predict

Sugi Predict / Compounds / SCHEMBL9853988

SCHEMBL9853988

SCHEMBL9853988

COc1ccccc1C(=O)Nc1ccn2c1CSC2c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TBXAS1 P24557 2/20 0.46
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 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
Water SCHEMBL9854050 0.91 POLB (0.52) PTAFRKDM4EPOLBTBXAS1MEN1
Water SCHEMBL9854045 0.91 POLB (0.52) PTAFRKDM4EPOLBTBXAS1MEN1
SCHEMBL9854022 0.89 PTAFR (0.52) PTAFRPOLBTBXAS1
SCHEMBL9854070 0.89 PTAFR (0.56) PTAFRTBXAS1RAB9A
SCHEMBL9853993 0.88 PTAFR (0.57) PTAFRTBXAS1
SCHEMBL9853980 0.86 PTAFR (0.57) PTAFRTBXAS1
SCHEMBL9854076 0.86 PTAFR (0.57) PTAFRTBXAS1MAPTMEN1KMT2A
SCHEMBL9854020 0.86 PTAFR (0.67) PTAFRTBXAS1
Water SCHEMBL9853929 0.85 LMNA (0.52) PTAFRPOLBTBXAS1MAPTMEN1
SCHEMBL9854019 0.85 PTAFR (0.59) 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