SCHEMBL23544488

SCHEMBL23544488

O=Nc1cc(O)ccc1C(=O)c1ccc(O)cc1N=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.45
▸ CA12 O43570 5/20 0.43
▸ CA1 P00915 5/20 0.43
▸ CA2 P00918 5/20 0.43
▸ CA7 P43166 5/20 0.43
▸ CA9 Q16790 5/20 0.43
▸ CA14 Q9ULX7 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ ALOX5 P09917 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38

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
SCHEMBL24165283 0.92 CES2 (0.53) CES2CA12CA1CA2CA7
SCHEMBL17903002 0.88 HDAC1 (0.50) CES2CA12CA1CA2CA7
SCHEMBL16253932 0.85 MEN1 (0.64) ALDH1A1MEN1KMT2AGAAUSP2
SCHEMBL14516405 0.85 CA12 (0.57) CES2CA12CA1CA2CA7
SCHEMBL9725749 0.83 HSD17B1 (0.43) CES2CA12CA1CA2CA7
SCHEMBL24829926 0.82 KMT2A (0.51) ALDH1A1MEN1KMT2AGAAUSP2
SCHEMBL7185592 0.80 MEN1 (0.57) CES2CA12CA1CA2CA7
SCHEMBL13594635 0.77 EGFR (0.40) CES2CA12CA1CA2CA7
SCHEMBL2609143 0.75 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL3070179 0.75 ALDH1A1 (0.45) CES2CA12CA1CA2CA7

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
WO-2024114984-A1 CORE-COATED TEXTILE REINFORCING ELEMENT, STAPLE FIBRE AND PRODUCT REINFORCED BY AT LEAST ONE STAPLE FIBRE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2024-06-06 — — WO disclosed
EP-2982658-B1 HEAT-RAY-SHIELDING FILM, HEAT-RAY-SHIELDING TRANSPARENT SUBSTRATE, HEAT-RAY-SHIELDING RESIN SHEET MATERIAL, VEHICLE, AND BUILDING SUMITOMO METAL MINING CO (JP) 2021-06-23 — — EP disclosed
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