SCHEMBL15835812

SCHEMBL15835812

Cc1ccc(N=Nc2c(N)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(C(=O)O)c(N=Nc3cc(CO)c(N=Nc4ccc(CCCOS(=O)(=O)O)cc4S(=O)(=O)O)cc3S(=O)(=O)O)c2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ THRB P10828 2/20 0.36
▸ ENPP2 Q13822 2/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ APP P05067 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SLC7A11 Q9UPY5 2/20 0.31
▸ SENP2 Q9HC62 2/20 0.31
▸ SENP1 Q9P0U3 2/20 0.31
▸ SENP3 Q9H4L4 1/20 0.31
▸ SUMO2 P61956 1/20 0.31
▸ SUMO1 P63165 1/20 0.31

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
SCHEMBL14134073 0.96 PHLPP2 (0.39) PHLPP2THRBENPP2MEN1ALDH1A1
SCHEMBL14134407 0.88 PHLPP2 (0.37) PHLPP2THRBENPP2MEN1ALDH1A1
SCHEMBL15835814 0.87 PHLPP2 (0.41) PHLPP2THRBENPP2ALDH1A1
SCHEMBL15835813 0.87 PHLPP2 (0.42) PHLPP2THRBENPP2MEN1ALDH1A1
SCHEMBL14159117 0.87 PHLPP2 (0.52) PHLPP2THRBENPP2MEN1ALDH1A1
SCHEMBL14159105 0.86 PHLPP2 (0.53) PHLPP2THRBENPP2MEN1ALDH1A1
SCHEMBL15835810 0.84 ENPP2 (0.40) PHLPP2THRBENPP2MEN1ALDH1A1
SCHEMBL15835811 0.84 PHLPP2 (0.36) PHLPP2THRBENPP2
SCHEMBL24019203 0.83 THRB (0.45) PHLPP2THRBENPP2MEN1ALDH1A1
SCHEMBL13387236 0.82 PHLPP2 (0.42) PHLPP2THRBENPP2MEN1ALDH1A1

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-20140173835-A1 Mixtures of Reactive Dyes and Their Use HUNTSMAN INTERNATIONAL LLC (US) 2014-06-26 — — US disclosed
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