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Sugi Predict / Compounds / SCHEMBL14346964

SCHEMBL14346964

SCHEMBL14346964

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)cc(S(=O)(=O)O)c(N)c1/N=N/c1ccc(S(=O)(=O)O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4S(=O)(=O)O)c(N)c3c2O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.57
▸ ENPP2 Q13822 8/20 0.46
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ PHLPP2 Q6ZVD8 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PRMT1 Q99873 1/20 0.35
▸ SUMO2 P61956 1/20 0.35
▸ SUMO1 P63165 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP2 Q9HC62 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ APP P05067 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ SNCA P37840 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
SCHEMBL13070021 0.95 THRB (0.58) THRBENPP2MEN1KMT2AHTT
SCHEMBL14346963 0.95 THRB (0.58) THRBENPP2MEN1KMT2AHTT
SCHEMBL14346743 0.95 THRB (0.58) THRBENPP2MEN1KMT2AHTT
SCHEMBL13069508 0.92 THRB (0.62) THRBENPP2MEN1KMT2AHTT
SCHEMBL24157451 0.91 THRB (0.67) THRBENPP2MEN1KMT2AHTT
SCHEMBL24157450 0.91 THRB (0.67) THRBENPP2MEN1KMT2AHTT
SCHEMBL14388749 0.91 THRB (0.67) THRBENPP2MEN1KMT2AHTT
SCHEMBL13069620 0.89 THRB (0.46) THRBENPP2MEN1KMT2AHTT
SCHEMBL16551869 0.88 THRB (0.60) THRBENPP2MEN1KMT2AHTT
SCHEMBL24157447 0.88 THRB (0.60) THRBENPP2MEN1KMT2AHTT

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
WO-2007147774-A2 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-12-27 — — WO disclosed
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