SCHEMBL29697114

SCHEMBL29697114

COc1cccc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)c1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC7A11 Q9UPY5 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ APP P05067 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ SNCA P37840 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL15120171 1.00 SLC7A11 (0.58) SLC7A11MEN1ALDH1A1APPMAPT
SCHEMBL18044209 1.00 SLC7A11 (0.58) SLC7A11MEN1ALDH1A1APPMAPT
SCHEMBL14988410 0.99 SLC7A11 (0.57) SLC7A11MEN1ALDH1A1APPMAPT
SCHEMBL14988413 0.99 SLC7A11 (0.57) SLC7A11MEN1ALDH1A1APPMAPT
SCHEMBL29696999 0.91 MEN1 (0.63) SLC7A11MEN1ALDH1A1APPMAPT
SCHEMBL18044293 0.91 MEN1 (0.63) SLC7A11MEN1ALDH1A1APPMAPT
SCHEMBL15120164 0.91 MEN1 (0.63) SLC7A11MEN1ALDH1A1APPMAPT
SCHEMBL14988411 0.90 — —
SCHEMBL14988718 0.90 MEN1 (0.62) SLC7A11MEN1ALDH1A1APPMAPT
SCHEMBL14988715 0.90 MEN1 (0.62) SLC7A11MEN1ALDH1A1APPMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118434418-A Composition for improving cardiac function 国立大学法人京都大学 2024-08-02 — — CN claimed
CN-114599370-A Pharmaceutical composition for protecting cartilage 国立大学法人京都大学 2022-06-07 — — CN claimed
EP-4049724-A1 PHARMACEUTICAL COMPOSITION FOR PROTECTING CARTILAGE Kyoto University (JP) 2022-08-31 — — EP disclosed
EP-3733177-B1 COMPOSITION FOR PROTECTING CORNEA UNIV KYOTO (JP) 2022-07-06 — — EP disclosed
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