SCHEMBL16551890

SCHEMBL16551890

Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(O)(=S)=S)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(O)c12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.69
▸ ENPP2 Q13822 9/20 0.47
▸ PHLPP2 Q6ZVD8 1/20 0.43
▸ CYP1A2 P05177 2/20 0.41
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ SUMO2 P61956 1/20 0.39
▸ SUMO1 P63165 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP2 Q9HC62 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 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
SCHEMBL31122162 0.95 THRB (0.75) THRBENPP2PHLPP2CYP1A2CA2
SCHEMBL1755507 0.95 THRB (0.75) THRBENPP2PHLPP2CYP1A2CA2
SCHEMBL12955080 0.95 THRB (0.75) THRBENPP2PHLPP2CYP1A2CA2
SCHEMBL2304017 0.94 THRB (0.74) THRBENPP2PHLPP2CYP1A2CA2
SCHEMBL21221487 0.94 THRB (0.74) THRBENPP2PHLPP2CYP1A2CA2
SCHEMBL25831277 0.91 THRB (0.69) THRBENPP2PHLPP2CYP1A2CA2
SCHEMBL14495135 0.90 THRB (0.68) THRBENPP2PHLPP2CYP1A2CA2
SCHEMBL25831592 0.90 THRB (0.68) THRBENPP2PHLPP2CYP1A2CA2
SCHEMBL24157451 0.89 THRB (0.67) THRBENPP2PHLPP2CYP1A2CA2
SCHEMBL21894593 0.89 THRB (0.67) THRBENPP2PHLPP2CYP1A2CA2

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
EP-3039083-B1 DYE MIXTURES OF METAL-FREE REACTIVE DYES, PRODUCTION AND USE DYSTAR COLOURS DISTRIB GMBH (DE) 2017-06-07 — — EP disclosed
WO-2015028499-A1 DYE MIXTURES OF REACTIVE DYES, PRODUCTION AND USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-03-05 — — WO disclosed
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