SCHEMBL21101904

SCHEMBL21101904

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
GAA P10253 2/20 0.57
LMNA P02545 3/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
THRB P10828 1/20 0.55
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
PKM P14618 2/20 0.52
KMT2A Q03164 2/20 0.51

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
SCHEMBL21101997 0.89 ALDH1A1 (0.58) ALDH1A1GAALMNAPOLBMAPT
SCHEMBL21101771 0.85 POLB (0.55) POLB
SCHEMBL21101772 0.84 BRD4 (0.49) ALDH1A1LMNAPOLBMAPTKMT2A
SCHEMBL21101905 0.82 ALPL (0.46) ALDH1A1GAALMNAPOLB
SCHEMBL21101911 0.81 KDM4E (0.43) ALDH1A1GAALMNAPOLB
SCHEMBL23057067 0.81 ALDH1A1 (0.66) ALDH1A1GAALMNAPOLBMAPT
SCHEMBL21102114 0.79 LMNA (0.52) ALDH1A1LMNAPOLBMAPTTHRB
SCHEMBL10310314 0.78 GAA (0.62) ALDH1A1GAALMNAMAPTNPSR1
SCHEMBL21102111 0.77 LMNA (0.59) ALDH1A1GAALMNAMAPTKMT2A
SCHEMBL21101906 0.77 KDM4E (0.66) ALDH1A1GAAMAPTL3MBTL1KMT2A

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