SCHEMBL28482781

SCHEMBL28482781

Nc1ccc(-c2ccc(N)cc2S(=O)(=O)c2ccc(Sc3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ NT5E P21589 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ANXA2 P07355 1/20 0.39
▸ S100A10 P60903 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ GNG2 P59768 1/20 0.36
▸ GNB1 P62873 1/20 0.36
▸ PDE7A Q13946 5/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ S1PR1 P21453 1/20 0.33
▸ PDE7B Q9NP56 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32

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 0.83 ALDH1A1 (0.47) ALDH1A1NT5ETSHRHSD17B10CYP1A2
SCHEMBL28489186 0.78 ALDH1A1 (0.40) ALDH1A1NT5ETSHRHSD17B10CYP1A2
SCHEMBL28483082 0.77 ALDH1A1 (0.41) ALDH1A1NT5ETSHRHSD17B10CYP1A2
SCHEMBL28491175 0.76 ALDH1A1 (0.54) ALDH1A1NT5ETSHRANXA2S100A10
SCHEMBL19048972 0.74 ANXA2 (0.49) ALDH1A1NT5ETSHRANXA2S100A10
SCHEMBL1004339 0.74 HSD17B10 (0.53) ALDH1A1NT5ETSHRHSD17B10CYP1A2
SCHEMBL28498170 0.73 ALDH1A1 (0.50) ALDH1A1NT5ETSHRANXA2S100A10
SCHEMBL9357018 0.73 ALDH1A1 (0.51) ALDH1A1NT5ETSHRANXA2S100A10
SCHEMBL28432320 0.73 ALDH1A1 (0.38) ALDH1A1NT5ETSHRANXA2S100A10
Hydrochloric Acid SCHEMBL8657314 0.72 HSD17B10 (0.52) ALDH1A1NT5ETSHRHSD17B10CYP1A2

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-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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