SCHEMBL28489186

SCHEMBL28489186

Cc1ccc(S(=O)(=O)c2cc(N)ccc2-c2ccc(N)cc2)cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ NT5E P21589 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ GNG2 P59768 1/20 0.40
▸ GNB1 P62873 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ GAA P10253 4/20 0.39
▸ RECQL P46063 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CASP6 P55212 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL28488576 0.84 ALDH1A1 (0.47) ALDH1A1NT5EHSD17B10CYP2C9TSHR
SCHEMBL9312016 0.83 ALDH1A1 (0.43) ALDH1A1NT5EHSD17B10TSHRALOX15
SCHEMBL10383132 0.83 LMNA (0.53) ALDH1A1NT5ECYP2C9TSHRL3MBTL1
SCHEMBL1004339 0.80 HSD17B10 (0.53) ALDH1A1NT5EHSD17B10CYP2C9TSHR
SCHEMBL28491175 0.80 ALDH1A1 (0.54) ALDH1A1NT5EHSD17B10CYP2C9TSHR
SCHEMBL29648925 0.80 ALDH1A1 (0.54) ALDH1A1NT5EHSD17B10TSHRALOX15
SCHEMBL151537 0.80 ALDH1A1 (0.54) ALDH1A1NT5EHSD17B10TSHRALOX15
SCHEMBL28483082 0.78 ALDH1A1 (0.41) ALDH1A1NT5EHSD17B10CYP2C9TSHR
SCHEMBL28482781 0.78 ALDH1A1 (0.41) ALDH1A1NT5EHSD17B10CYP2C9TSHR
Hydrochloric Acid SCHEMBL8657314 0.78 HSD17B10 (0.52) ALDH1A1NT5EHSD17B10CYP2C9TSHR

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-108598533-B Coumarin-based photocyclization crosslinking sulfonated polyimide proton exchange membrane and preparation method thereof 同济大学 2020-11-03 — — CN claimed
CN-108598533-B Coumarin-based photocyclization crosslinking sulfonated polyimide proton exchange membrane and preparation method thereof 同济大学 2020-11-03 — — CN disclosed
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