SCHEMBL14557133

SCHEMBL14557133

Nc1cc(N)c(N=Nc2ccc(S(=O)(=O)C(CO)(CO)S(=O)(=O)O)cc2S(=O)(=O)O)c(C(=O)O)c1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.38
▸ PHLPP2 Q6ZVD8 3/20 0.36
▸ ENPP2 Q13822 2/20 0.36
▸ SENP2 Q9HC62 3/20 0.34
▸ SUMO2 P61956 2/20 0.34
▸ SUMO1 P63165 2/20 0.34
▸ SENP7 Q9BQF6 2/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ STAT6 P42226 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ SENP3 Q9H4L4 2/20 0.30
▸ SENP1 Q9P0U3 2/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ SLC7A11 Q9UPY5 1/20 0.30

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
SCHEMBL14565614 0.86 ENPP2 (0.45) THRBPHLPP2ENPP2SENP2SUMO2
SCHEMBL24019203 0.83 THRB (0.45) THRBPHLPP2ENPP2SENP2SUMO2
SCHEMBL17384289 0.80 THRB (0.45) THRBPHLPP2ENPP2SENP2SUMO2
SCHEMBL14159105 0.78 PHLPP2 (0.53) THRBPHLPP2ENPP2SENP2SUMO2
SCHEMBL14159099 0.78 THRB (0.43) THRBPHLPP2ENPP2SENP2SUMO2
SCHEMBL14547026 0.78 THRB (0.43) THRBPHLPP2ENPP2SENP2SUMO2
SCHEMBL14159117 0.78 PHLPP2 (0.52) THRBPHLPP2ENPP2SENP2SUMO2
SCHEMBL13387274 0.78 THRB (0.34) THRBPHLPP2ENPP2
SCHEMBL12052542 0.77 THRB (0.31) THRBPHLPP2ENPP2
SCHEMBL24019208 0.77 PHLPP2 (0.42) THRBPHLPP2ENPP2CYP1A2CYP3A4

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-1760117-A2 Reactive dyestuff compositions and their use Everlight USA, Inc. (US) 2007-03-07 — — EP disclosed
US-20070044256-A1 Reactive dyestuff composition and their use EVERLIGHT USA, INC. (US) 2007-03-01 — — US disclosed
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