SCHEMBL7795598

SCHEMBL7795598

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 3/20 0.41
MEN1 O00255 3/20 0.37
RECQL P46063 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CASP6 P55212 1/20 0.37
ELAVL1 Q15717 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 5/20 0.34
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
GNG2 P59768 2/20 0.33
GNB1 P62873 2/20 0.33
RAD52 P43351 2/20 0.32
GAPDH P04406 1/20 0.32

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
SCHEMBL9155463 0.86 ALDH1A1 (0.46) KDM4EALDH1A1MEN1RECQLKMT2A
SCHEMBL9166477 0.81 ALDH1A1 (0.44) KDM4EALDH1A1MEN1RECQLKMT2A
SCHEMBL9397362 0.80 ALDH1A1 (0.64) KDM4EALDH1A1MEN1RECQLKMT2A
SCHEMBL3975257 0.78 TAAR1 (0.55) KDM4EALDH1A1TAAR1MEN1RECQL
SCHEMBL29239042 0.74 ALDH1A1 (0.52) KDM4EALDH1A1MEN1RECQLKMT2A
SCHEMBL29633914 0.74 KDM4E (0.52) KDM4EALDH1A1MEN1RECQLKMT2A
SCHEMBL1364945 0.74 KDM4E (0.52) KDM4EALDH1A1MEN1RECQLKMT2A
SCHEMBL7822498 0.73 ALDH1A1 (0.50) KDM4EALDH1A1MEN1RECQLKMT2A
SCHEMBL1806156 0.71 ALDH1A1 (0.42) KDM4EALDH1A1MEN1RECQLKMT2A
SCHEMBL6234002 0.70 RAPGEF4 (0.47) KDM4EALDH1A1MEN1RECQLKMT2A

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