SCHEMBL21101906

SCHEMBL21101906

CC(=N)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 3/20 0.65
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
HTT P42858 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.60
MAPT P10636 1/20 0.60
RECQL P46063 1/20 0.60
ATM Q13315 1/20 0.59
GAA P10253 1/20 0.57

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
SCHEMBL21101771 0.79 POLB (0.55) HTT
SCHEMBL21101778 0.78 KDM4E (0.52) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL21101772 0.78 BRD4 (0.49) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL21101904 0.77 ALDH1A1 (0.60) ALDH1A1KMT2AL3MBTL1MAPTGAA
SCHEMBL21101905 0.76 ALPL (0.46) ALDH1A1GAA
SCHEMBL21102114 0.75 LMNA (0.52) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL21101911 0.75 KDM4E (0.43) KDM4EALDH1A1GAA
SCHEMBL21102111 0.73 LMNA (0.59) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3409012 0.73 TSHR (0.65) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL29955875 0.73 TSHR (0.65) KDM4EALDH1A1KMT2AMEN1L3MBTL1

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
WO-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed