SCHEMBL28483082

SCHEMBL28483082

Nc1ccc(-c2ccc(N)cc2S(=O)(=O)c2ccc(Oc3ccc(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
▸ TSHR P16473 3/20 0.41
▸ NT5E P21589 2/20 0.41
▸ HSD17B10 Q99714 2/20 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
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ APEX1 P27695 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL2623080 0.84 ALDH1A1 (0.46) ALDH1A1TSHRNT5ECYP2C9KMT2A
SCHEMBL28488576 0.83 ALDH1A1 (0.47) ALDH1A1TSHRNT5EHSD17B10CYP1A2
SCHEMBL28080550 0.81 ALDH1A1 (0.51) ALDH1A1TSHRNT5EHSD17B10KMT2A
SCHEMBL2614807 0.81 TSHR (0.46) ALDH1A1TSHRNT5ECYP2C9KMT2A
SCHEMBL1259167 0.81 POLB (0.44) ALDH1A1TSHRNT5EHSD17B10ALOX15
SCHEMBL2120389 0.81 RAPGEF4 (0.49) ALDH1A1TSHRNT5EHSD17B10KMT2A
Ammonia Solution, Strong SCHEMBL7555706 0.80 RAPGEF4 (0.47) ALDH1A1TSHRNT5EHSD17B10KMT2A
SCHEMBL1030592 0.79 POLB (0.44) ALDH1A1TSHRNT5EHSD17B10ALOX15
SCHEMBL28489186 0.78 ALDH1A1 (0.40) ALDH1A1TSHRNT5EHSD17B10CYP1A2
SCHEMBL28482781 0.77 ALDH1A1 (0.41) ALDH1A1TSHRNT5EHSD17B10CYP1A2

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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