SCHEMBL29910947

SCHEMBL29910947

[N-]=[N+]=Nc1ccc(C=C2CC(C(=O)O)CC(=Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 8/20 0.56
▸ F10 P00742 6/20 0.56
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ USP18 Q9UMW8 1/20 0.38
▸ UCHL5 Q9Y5K5 1/20 0.38
▸ STAT3 P40763 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL15964849 1.00 F2 (0.56) F2F10MAPTHTTHPGD
SCHEMBL30383935 0.94 F2 (0.51) F2F10MAPTHTTHPGD
SCHEMBL30382045 0.94 F2 (0.51) F2F10MAPTHTTHPGD
SCHEMBL13870140 0.85 F10 (0.41) F2F10CA1CA2CA5A
SCHEMBL28351724 0.85 F2 (0.41) F2F10MAPTHTTHPGD
SCHEMBL13886919 0.85 USP18 (0.54) F2F10MAPTHTTHPGD
SCHEMBL13886925 0.82 MAPT (0.55) F2F10MAPTHTTUSP18
SCHEMBL13886921 0.82 CA1 (0.38) F2F10MAPTHTTUSP18
SCHEMBL13882616 0.82 MAPT (0.55) F2F10MAPTHTTUSP18
SCHEMBL13861280 0.82 MAPT (0.55) F2F10MAPTHTTUSP18

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112694608-B Six-arm polyethylene glycol derivative, preparation method and modified biological related substance 厦门赛诺邦格生物科技股份有限公司 2024-07-02 — — CN disclosed
CN-115010915-B Nitrogen-branched nine-arm polyethylene glycol derivative, preparation method and modified biologically-relevant substance thereof 厦门赛诺邦格生物科技股份有限公司 2024-06-11 — — CN disclosed
CN-115010915-A Nitrogen branched nine-arm polyethylene glycol derivative, preparation method and biological related substance modified by nitrogen branched nine-arm polyethylene glycol derivative 厦门赛诺邦格生物科技股份有限公司 2022-09-06 — — CN disclosed
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