SCHEMBL7795594

SCHEMBL7795594

Cc1cc(C(C)N)c(N)c(S(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CASP6 P55212 1/20 0.35
ELAVL1 Q15717 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SUMO2 P61956 1/20 0.33
SUMO1 P63165 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP3 Q9H4L4 1/20 0.33
SENP2 Q9HC62 1/20 0.33

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
SCHEMBL9397362 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1MAPTRECQL
SCHEMBL1364945 0.76 KDM4E (0.52) ALDH1A1KDM4EMEN1MAPTRECQL
SCHEMBL29633914 0.76 KDM4E (0.52) ALDH1A1KDM4EMEN1MAPTRECQL
SCHEMBL29239042 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1MAPTRECQL
SCHEMBL7822498 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1MAPTRECQL
SCHEMBL23809868 0.71 KDM4E (0.41) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL6233995 0.70 RAPGEF4 (0.46) ALDH1A1KDM4EFABP3FABP4FABP5
SCHEMBL9155463 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPTRECQL
SCHEMBL9101570 0.69 LMNA (0.38) ALDH1A1KDM4EFABP3FABP4FABP5
SCHEMBL30666645 0.69 LMNA (0.38) ALDH1A1KDM4EFABP3FABP4FABP5

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-1097970-A2 Water-soluble monoazo compounds, process for their preparation and their use as dyestuffs DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-05-09 EP disclosed