SCHEMBL14159117

SCHEMBL14159117

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 4/20 0.52
▸ THRB P10828 2/20 0.42
▸ ENPP2 Q13822 5/20 0.42
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ MEN1 O00255 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
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL14159105 0.99 PHLPP2 (0.53) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL24019203 0.92 THRB (0.45) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL13387236 0.91 PHLPP2 (0.42) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL14159116 0.91 PHLPP2 (0.43) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL24019208 0.89 PHLPP2 (0.42) PHLPP2THRBENPP2CYP1A2ALDH1A1
SCHEMBL17384289 0.89 THRB (0.45) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL13792706 0.88 PHLPP2 (0.55) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL14159115 0.87 PHLPP2 (0.41) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL17384215 0.87 THRB (0.43) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL15835812 0.87 PHLPP2 (0.40) PHLPP2THRBENPP2CYP1A2CYP2C9

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