SCHEMBL29010554

SCHEMBL29010554

COc1ccc(-c2ccccc2S)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALPL P05186 1/20 0.49
▸ ALPI P09923 1/20 0.49
▸ ALPG P10696 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ TUBB1 Q9H4B7 4/20 0.47
▸ TUBB4A P04350 3/20 0.47
▸ TUBB P07437 3/20 0.47
▸ TUBA3C P0DPH7 3/20 0.47
▸ TUBA1B P68363 3/20 0.47
▸ TUBA4A P68366 3/20 0.47
▸ TUBB4B P68371 3/20 0.47
▸ TUBB3 Q13509 3/20 0.47
▸ TUBB2A Q13885 3/20 0.47
▸ TUBB8 Q3ZCM7 3/20 0.47

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
SCHEMBL22381391 0.84 PGR (0.62) IDO1MEN1KMT2AALDH1A1MAPT
SCHEMBL27183350 0.78 IDO1 (0.48) IDO1MEN1KMT2AALDH1A1MAPT
SCHEMBL27619310 0.77 ALOX5 (0.57) IDO1MEN1KMT2AALDH1A1MAPT
SCHEMBL10873515 0.76 ERN1 (0.58) IDO1MEN1KMT2AALDH1A1MAPT
SCHEMBL5724135 0.75 PARP1 (0.56) IDO1MEN1KMT2AALDH1A1MAPT
SCHEMBL20928116 0.75 SLC6A3 (0.62) IDO1MEN1KMT2AALDH1A1MAPT
SCHEMBL28978917 0.74 TLR8 (0.51) TDP1TP53ARAPP
SCHEMBL23202596 0.73 TUBB4A (0.55) MEN1KMT2ATUBB1TUBB4ATUBB
SCHEMBL31079358 0.73 TUBB4A (0.55) MEN1KMT2ATUBB1TUBB4ATUBB
SCHEMBL4681449 0.73 ALDH1A1 (0.53) IDO1MEN1KMT2AALDH1A1MAPT

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-109415329-B Synthesis method 葛兰素史克知识产权第二有限公司 2023-05-12 — — CN claimed
CN-116042742-A Synthesis method 葛兰素史克知识产权第二有限公司 2023-05-02 — — CN claimed
CN-109415329-B Synthesis method 葛兰素史克知识产权第二有限公司 2023-05-12 — — CN disclosed
CN-116042742-A Synthesis method 葛兰素史克知识产权第二有限公司 2023-05-02 — — CN disclosed
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