SCHEMBL28963365

SCHEMBL28963365

Nc1c(S(=O)(=O)Oc2cccc3ccccc23)cc(S(=O)(=O)Oc2cccc3ccccc23)c2cccc(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ ESR1 P03372 3/20 0.49
▸ ESR2 Q92731 2/20 0.49
▸ NR4A1 P22736 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ HSD17B3 P37058 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ F2 P00734 1/20 0.36

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 SCHEMBL28963036 0.97 KMT2A (0.47) KMT2AGAAMEN1ESR1ESR2
SCHEMBL10881406 0.75 KMT2A (0.59) KMT2AGAAMEN1ESR1ESR2
SCHEMBL28869945 0.75 ALPL (0.50) KMT2AGAAMEN1ESR1ESR2
SCHEMBL6099899 0.74 HTR6 (0.54) KMT2AGAAMEN1ESR1ESR2
Lithium Ion SCHEMBL155096 0.74 NR4A1 (0.61) KMT2AMEN1NR4A1AURKAAURKB
SCHEMBL29664225 0.74 NR4A1 (0.61) KMT2AMEN1NR4A1AURKAAURKB
SCHEMBL8508834 0.74 NR4A1 (0.61) KMT2AMEN1NR4A1AURKAAURKB
SCHEMBL31709341 0.74 NR4A1 (0.61) KMT2AMEN1NR4A1AURKAAURKB
SCHEMBL16446112 0.74 NR4A1 (0.61) KMT2AMEN1NR4A1AURKAAURKB
SCHEMBL11490860 0.73 AURKA (0.44) KMT2AGAAMEN1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115612403-B Self-assembled strong-adhesion copolymer film, coating method and application 中国科学院天津工业生物技术研究所 2023-12-01 — — CN disclosed
CN-115612403-A Self-assembly strong-adhesion copolymer film, film coating method and application 中国科学院天津工业生物技术研究所 2023-01-17 — — CN disclosed
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