SCHEMBL13604262

SCHEMBL13604262

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)CCOS(=O)(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.51
▸ ENPP2 Q13822 4/20 0.48
▸ APP P05067 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ SNCA P37840 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SLC7A11 Q9UPY5 4/20 0.45
▸ SENP2 Q9HC62 5/20 0.44
▸ SENP1 Q9P0U3 4/20 0.44
▸ SUMO2 P61956 4/20 0.44
▸ SUMO1 P63165 4/20 0.44
▸ SENP7 Q9BQF6 4/20 0.44
▸ SENP3 Q9H4L4 2/20 0.40

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
SCHEMBL13792698 1.00 THRB (0.51) THRBENPP2APPMEN1ALDH1A1
SCHEMBL13793489 0.95 THRB (0.47) THRBENPP2APPMEN1ALDH1A1
SCHEMBL13880627 0.95 ENPP2 (0.52) THRBENPP2APPMEN1ALDH1A1
SCHEMBL17109639 0.91 ENPP2 (0.48) THRBENPP2APPMEN1ALDH1A1
SCHEMBL16551879 0.91 ENPP2 (0.53) THRBENPP2APPMEN1ALDH1A1
SCHEMBL14546784 0.90 THRB (0.48) THRBENPP2APPMEN1ALDH1A1
SCHEMBL14546752 0.90 THRB (0.48) THRBENPP2APPMEN1ALDH1A1
SCHEMBL12053411 0.90 THRB (0.43) THRBENPP2APPMEN1ALDH1A1
SCHEMBL14546774 0.89 THRB (0.48) THRBENPP2APPMEN1ALDH1A1
SCHEMBL14547027 0.89 THRB (0.46) THRBENPP2APPMEN1ALDH1A1

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
WO-2015193104-A1 MIXTURES OF REACTIVE DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2015-12-23 — — WO disclosed
US-20090320217-A1 MIXTURES OF FIBRE-REACTIVE AZO DYES DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-31 — — US disclosed
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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