SCHEMBL8846071

SCHEMBL8846071

CS(=O)(=O)NCCN(S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.32
RECQL P46063 2/20 0.32
NQO2 P16083 1/20 0.32
HTT P42858 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
SCHEMBL13328484 0.77 ALDH1A1 (0.44) ALDH1A1POLBMAPTALOX15RECQL
SCHEMBL48345 0.77 ALDH1A1 (0.62) ALDH1A1POLBMAPTALOX15RECQL
SCHEMBL11088882 0.76 ALDH1A1 (0.35) ALDH1A1POLBMAPTALOX15RECQL
SCHEMBL3043384 0.74 POLB (0.44) ALDH1A1POLBMAPTALOX15RECQL
SCHEMBL7567519 0.74 KDM4E (0.36)
SCHEMBL12589712 0.73 SIGMAR1 (0.50) ALDH1A1
SCHEMBL13328480 0.73 ALDH1A1 (0.46) ALDH1A1POLBMAPT
SCHEMBL13328482 0.72 ALDH1A1 (0.45) ALDH1A1POLB
SCHEMBL15834123 0.71 ALDH1A1 (0.40) ALDH1A1POLBMAPTALOX15
SCHEMBL26210630 0.71 ALDH1A1 (0.40) ALDH1A1POLBMAPTALOX15RECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755262-A4 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO INC (US) 1997-05-07 EP disclosed
EP-0755262-A1 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO. INC. (US) 1997-01-29 EP disclosed