SCHEMBL4625843

SCHEMBL4625843

CC[n+]1c(S(=O)(=O)O)ccc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
POLB P06746 5/20 0.39
RAB9A P51151 4/20 0.39
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
BLM P54132 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 2/20 0.39
NPC1 O15118 2/20 0.37
SLC22A3 O75751 3/20 0.36

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
SCHEMBL4625836 0.83 LMNA (0.68) KDM4ELMNAALDH1A1GAAHPGD
SCHEMBL27623494 0.71 MEN1 (0.40) KDM4ELMNAALDH1A1GAAHPGD
SCHEMBL28150148 0.71 MEN1 (0.40) KDM4ELMNAALDH1A1GAAHPGD
SCHEMBL1049882 0.71 KDM4E (0.53) KDM4ELMNAALDH1A1GAAHPGD
Iodide SCHEMBL29227333 0.69 KDM4E (0.51) KDM4ELMNAALDH1A1GAAHPGD
SCHEMBL28816897 0.69 MEN1 (0.44) KDM4ELMNAALDH1A1GAAHPGD
SCHEMBL28250926 0.69 MEN1 (0.47) KDM4ELMNAALDH1A1GAAHPGD
SCHEMBL4625246 0.69 MEN1 (0.44) KDM4ELMNAALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL6333076 0.69 KDM4E (0.51) KDM4ELMNAALDH1A1GAAHPGD
Iodide SCHEMBL82245 0.69 ALDH1A1 (0.51) KDM4ELMNAALDH1A1GAAHPGD

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-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed