SCHEMBL24019208

SCHEMBL24019208

COc1ccc(N=Nc2c(N)c(/N=N\c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(N)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2C(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 3/20 0.42
▸ THRB P10828 3/20 0.42
▸ ENPP2 Q13822 3/20 0.41
▸ SLC7A11 Q9UPY5 2/20 0.37
▸ CDK1 P06493 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP1A2 P05177 2/20 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
SCHEMBL24019203 0.91 THRB (0.45) PHLPP2THRBENPP2SLC7A11CD40
SCHEMBL14159105 0.90 PHLPP2 (0.53) PHLPP2THRBENPP2SLC7A11CD40
SCHEMBL14159117 0.89 PHLPP2 (0.52) PHLPP2THRBENPP2SLC7A11CD40
SCHEMBL14159116 0.88 PHLPP2 (0.43) PHLPP2THRBENPP2SLC7A11CD40
SCHEMBL17384289 0.88 THRB (0.45) PHLPP2THRBENPP2SLC7A11CD40
SCHEMBL17384215 0.86 THRB (0.43) PHLPP2THRBENPP2SLC7A11CD40
SCHEMBL14159095 0.86 THRB (0.43) PHLPP2THRBENPP2SLC7A11MEN1
SCHEMBL15671902 0.86 THRB (0.43) PHLPP2THRBENPP2SLC7A11MEN1
SCHEMBL13386969 0.86 THRB (0.43) PHLPP2THRBENPP2SLC7A11MEN1
SCHEMBL14159099 0.86 THRB (0.43) PHLPP2THRBENPP2SLC7A11CD40

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
EP-3752649-B1 PROCESS FOR THE SIMULTANEOUS TANNING AND DYEING OF COLLAGEN CONTAINING FIBROUS MATERIAL HUNTSMAN ADV MAT SWITZERLAND (CH) 2021-11-17 — — EP disclosed
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