SCHEMBL6229503

SCHEMBL6229503

CCOC(=O)C[n+]1cccc(C(=O)NNS(=O)(=O)Cc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP2D6 P10635 1/20 0.43
HSP90AA1 P07900 4/20 0.43
KAT6A Q92794 3/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BACE1 P56817 1/20 0.38
LMNA P02545 1/20 0.38

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
Bromide SCHEMBL1194675 0.99 GLA (0.51) GLAGAAMAPTCYP2D6HSP90AA1
Bromide SCHEMBL7113514 0.90 GLA (0.48) GLACYP2D6HSP90AA1KAT6AKMT2A
SCHEMBL6911054 0.85 GLA (0.51) GLAGAACYP2D6HSP90AA1KAT6A
Bromide SCHEMBL1194102 0.85 KAT6A (0.54) GLAGAAKAT6AKMT2AHTT
Bromide SCHEMBL1194002 0.84 GLA (0.53) GLAGAAMAPTCYP2D6HSP90AA1
SCHEMBL6230381 0.84 KMT2A (0.51) GLAGAAMAPTCYP2D6HSP90AA1
Bromide SCHEMBL1193689 0.83 KMT2A (0.53) GLAGAAMAPTCYP2D6KMT2A
SCHEMBL1194164 0.82 GLA (0.53) GLAGAAMAPTCYP2D6HSP90AA1
Bromide SCHEMBL7695782 0.81 GLA (0.48) GLACYP2D6HSP90AA1KAT6AKMT2A
Bromide SCHEMBL6225758 0.81 GLA (0.55) GLAGAAMAPTCYP2D6HSP90AA1

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-1243581-B1 Pyridinium compounds useful for the treatment of AGE-related diseases TORRENT PHARMACEUTICALS LTD (IN) 2005-07-13 EP claimed