SCHEMBL28080550

SCHEMBL28080550

Nc1ccc(-c2ccc(N)cc2Oc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ TSHR P16473 3/20 0.51
▸ NT5E P21589 2/20 0.51
▸ NCOA1 Q15788 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ PTGS2 P35354 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MMP2 P08253 4/20 0.39
▸ MMP9 P14780 4/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL23070853 0.91 ALDH1A1 (0.53) ALDH1A1TSHRNT5ENCOA1NCOA3
SCHEMBL29900973 0.91 ALDH1A1 (0.53) ALDH1A1TSHRNT5ENCOA1NCOA3
SCHEMBL23023215 0.82 ALDH1A1 (0.53) ALDH1A1TSHRNT5ETDP1HSD17B10
SCHEMBL28483082 0.81 ALDH1A1 (0.41) ALDH1A1TSHRNT5ENCOA1NCOA3
SCHEMBL5596989 0.80 TSHR (0.64) ALDH1A1TSHRNT5ENCOA1TDP1
SCHEMBL9506029 0.79 ALDH1A1 (0.75) ALDH1A1TSHRNT5ETDP1HSD17B10
SCHEMBL23581821 0.79 ALDH1A1 (0.75) ALDH1A1TSHRNT5ETDP1HSD17B10
SCHEMBL26634964 0.79 PTGS2 (0.46) ALDH1A1PTGS2TDP1MAPT
SCHEMBL28038480 0.78 NCOA1 (0.54) NCOA1NCOA3
SCHEMBL21081959 0.78 ALDH1A1 (0.61) ALDH1A1TSHRNT5ENCOA1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110628023-B Crystalline sulfonated polyimide block copolymer proton exchange membrane suitable for medium-high temperature fuel cell and preparation method thereof 上海交通大学 2021-10-08 — — CN disclosed
CN-108774544-B Oil product decolorizing agent 云南聚中能源科技有限公司 2021-01-22 — — CN disclosed
CN-110628023-A Crystalline sulfonated polyimide block copolymer proton exchange membrane suitable for medium-high temperature fuel cell and preparation method thereof 上海交通大学 2019-12-31 — — CN disclosed
CN-105713222-B A kind of sulfonated polyimide/poly- pyrrole throat compound proton exchange membrane preparation method based on molecule assembling 江西师范大学 2018-12-21 — — CN disclosed
CN-105713222-A Molecule assembling-based preparation method of sulfonated polyimide/polypyrrolone composite proton exchange membrane 江西师范大学 2016-06-29 — — CN disclosed
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