SCHEMBL29697786

SCHEMBL29697786

Cc1cccc2c1[SH](C)(=O)Nc1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ PBRM1 Q86U86 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MYC P01106 1/20 0.32
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31

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
SCHEMBL29697792 0.81 KDM4E (0.34) POLBPBRM1TNKS2DAOALDH1A1
SCHEMBL29697846 0.79 NPC1 (0.38) POLBCA1CA2CA7CA9
SCHEMBL29697799 0.64 KDM4E (0.34) ALDH1A1KDM4EHSD17B10
SCHEMBL21692904 0.61 POLB (0.45) POLBPBRM1TNKS2CA1CA2
SCHEMBL17882316 0.61 POLB (0.45) POLBPBRM1TNKS2CA1CA2
SCHEMBL30169568 0.57 ACHE (0.64) CA1CA2CA7CA9ALDH1A1
SCHEMBL197690 0.57 ACHE (0.64) CA1CA2CA7CA9ALDH1A1
SCHEMBL598761 0.57 TSHR (0.53) CA1CA2CA7CA9DAO
SCHEMBL30354037 0.57 ACHE (0.64) CA1CA2CA7CA9ALDH1A1
SCHEMBL28899579 0.56 MYC (0.58) CA1CA2CA7CA9ALDH1A1

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
CN-110698431-B Synthetic method of 1, 2-benzothiazine compound 陕西师范大学 2022-07-01 — — CN disclosed
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