SCHEMBL28417533

SCHEMBL28417533

O=S(=O)(ON(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HTR6 P50406 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
PARL Q9H300 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PKM P14618 1/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL9541745 0.79 ALDH1A1 (0.44) ALDH1A1HTR6KMT2AAPOBEC3GPKM
SCHEMBL9541750 0.76 ALDH1A1 (0.41) ALDH1A1TDP1PKMCA12CA2
SCHEMBL28512057 0.76 CA12 (0.47) ALDH1A1PKMCA12CA2CA9
SCHEMBL27282959 0.76 ALDH1A1 (0.55) ALDH1A1HTR6TDP1PARLKDM4E
SCHEMBL8192584 0.74 PKM (0.44) ALDH1A1HTR6KMT2APKMCA12
SCHEMBL14620608 0.74 ALDH1A1 (0.53) ALDH1A1KMT2ATSHRSMN1; SMN2ESR1
SCHEMBL28498842 0.72 ALDH1A1 (0.39) ALDH1A1KMT2AAPOBEC3GPKMCA12
SCHEMBL6315850 0.72 CA12 (0.56) ALDH1A1TDP1KDM4EMAPTHPGD
SCHEMBL28115167 0.71 ALDH1A1 (0.50) ALDH1A1HTR6TDP1PARLKDM4E
SCHEMBL31452872 0.71 HTR6 (0.55) ALDH1A1HTR6TDP1PARLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513016-B Sulfur-containing polymerizable monomer and use thereof 尚美德齿科材料有限公司 2023-12-19 CN disclosed
CN-112940432-B Polymerizable monomer for dental material, composition, adhesive dental material, and kit 三井化学株式会社 2022-12-30 CN disclosed
CN-107427414-B Polymerizable monomer for dental material, composition, adhesive dental material, and kit 三井化学株式会社 2021-07-02 CN disclosed
CN-112940432-A Polymerizable monomer for dental material, composition, adhesive dental material, and kit 三井化学株式会社 2021-06-11 CN disclosed
CN-112513016-A Sulfur-containing polymerizable monomer and use thereof 尚美德齿科材料有限公司 2021-03-16 CN disclosed
CN-106535815-B Reactive micro-applicator with metal-containing additives for applying dental adhesives 古莎有限公司 2020-05-29 CN disclosed