SCHEMBL14159108

SCHEMBL14159108

COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1N=Nc1c(N)c(/N=N\c2cc(S(=O)(=O)CCOS(=O)(=O)O)ccc2OC)c(N)c(N=Nc2ccc(SOOCCN)cc2S(=O)(=O)O)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.34
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL14159119 0.97 PHLPP2 (0.36) PRMT1PHLPP2
SCHEMBL14159104 0.89 THRB (0.38) PHLPP2ENPP2MEN1MAPTKMT2A
SCHEMBL14159115 0.87 PHLPP2 (0.41) PHLPP2ENPP2THRB
SCHEMBL14159106 0.84 THRB (0.39) PHLPP2ENPP2MEN1MAPTKMT2A
SCHEMBL14159098 0.80 THRB (0.36) PHLPP2ENPP2THRB
SCHEMBL14546780 0.79 PRMT1 (0.42) PRMT1PHLPP2ENPP2KDM4EMEN1
SCHEMBL14159120 0.78 PHLPP2 (0.38) PHLPP2ENPP2THRB
SCHEMBL14546986 0.78 PRMT1 (0.43) PRMT1PHLPP2ENPP2KDM4EMEN1
SCHEMBL12052958 0.77 PRMT1 (0.33) PRMT1PHLPP2ENPP2KDM4EMEN1
SCHEMBL24019203 0.77 THRB (0.45) PHLPP2ENPP2MEN1MAPTKMT2A

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