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Sugi Predict / Compounds / Trypan Blue Free Acid

Trypan Blue Free Acid

Trypan Blue Free Acid

SCHEMBL29415031

Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O.[Na]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ HTT P42858 1/20 1.00
▸ PHLPP2 Q6ZVD8 2/20 0.82
▸ ENPP2 Q13822 9/20 0.76
▸ PTPN1 P18031 2/20 0.74
▸ USP2 O75604 1/20 0.74
▸ ATM Q13315 1/20 0.74
▸ L3MBTL1 Q9Y468 1/20 0.74
▸ CYP1A2 P05177 2/20 0.60
▸ SUMO2 P61956 1/20 0.59
▸ SUMO1 P63165 1/20 0.59
▸ SENP7 Q9BQF6 1/20 0.59
▸ SENP3 Q9H4L4 1/20 0.59
▸ SENP2 Q9HC62 1/20 0.59
▸ SENP1 Q9P0U3 1/20 0.59
▸ PRMT1 Q99873 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ MAPK1 P28482 2/20 0.53

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
Trypan Blue Free Acid SCHEMBL29376676 1.00 MEN1 (1.00) MEN1KMT2AHTTPHLPP2ENPP2
Trypan Blue Free Acid SCHEMBL15497820 1.00 MEN1 (1.00) MEN1KMT2AHTTPHLPP2ENPP2
Trypan Blue Free Acid SCHEMBL12234090 1.00 MEN1 (1.00) MEN1KMT2AHTTPHLPP2ENPP2
Trypan Blue Free Acid SCHEMBL29355441 1.00 MEN1 (1.00) MEN1KMT2AHTTPHLPP2ENPP2
SCHEMBL13243797 0.97 MEN1 (0.94) MEN1KMT2AHTTPHLPP2ENPP2
SCHEMBL24438814 0.93 MEN1 (0.87) MEN1KMT2AHTTPHLPP2ENPP2
SCHEMBL18784959 0.92 MEN1 (0.85) MEN1KMT2AHTTPHLPP2ENPP2
SCHEMBL21105389 0.92 MEN1 (0.85) MEN1KMT2AHTTPHLPP2ENPP2
SCHEMBL20128454 0.92 MEN1 (0.85) MEN1KMT2AHTTPHLPP2ENPP2
SCHEMBL14215680 0.92 MEN1 (0.85) MEN1KMT2AHTTPHLPP2ENPP2

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-110291122-B Polymerizable composition for optical material, optical material obtained from the composition, and plastic lens 三井化学株式会社 2022-03-01 — — CN disclosed
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