SCHEMBL14159116

SCHEMBL14159116

Cc1ccc(N=Nc2c(N)c(/N=N\c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(N)c(N=Nc3ccc(OCS(C)(=O)=O)cc3S(=O)(=O)O)c2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 4/20 0.43
▸ THRB P10828 3/20 0.38
▸ ENPP2 Q13822 4/20 0.38
▸ SLC7A11 Q9UPY5 2/20 0.34
▸ ATIC P31939 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ ALOX12 P18054 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32

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
SCHEMBL14159117 0.91 PHLPP2 (0.52) PHLPP2THRBENPP2SLC7A11CYP1A2
SCHEMBL14159105 0.90 PHLPP2 (0.53) PHLPP2THRBENPP2SLC7A11CYP1A2
SCHEMBL24019208 0.88 PHLPP2 (0.42) PHLPP2THRBENPP2SLC7A11CYP1A2
SCHEMBL24019203 0.86 THRB (0.45) PHLPP2THRBENPP2SLC7A11CYP1A2
SCHEMBL13387236 0.86 PHLPP2 (0.42) PHLPP2THRBENPP2SLC7A11CYP1A2
SCHEMBL17384289 0.85 THRB (0.45) PHLPP2THRBENPP2SLC7A11CYP1A2
SCHEMBL17384215 0.83 THRB (0.43) PHLPP2THRBENPP2SLC7A11ATIC
SCHEMBL14159115 0.82 PHLPP2 (0.41) PHLPP2THRBENPP2SLC7A11CYP1A2
SCHEMBL15835812 0.81 PHLPP2 (0.40) PHLPP2THRBENPP2SLC7A11CYP1A2
SCHEMBL14159095 0.81 THRB (0.43) PHLPP2THRBENPP2SLC7A11ATIC

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
US-7390889-B1 Trisazo reactive dyestuff compound EVERLIGHT USA, INC. (US) 2008-06-24 — — US disclosed
Send feedback