SCHEMBL21101911

SCHEMBL21101911

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 6/20 0.41
GAA P10253 1/20 0.41
NFATC1 O95644 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CTSD P07339 1/20 0.40
MGAT2 Q10469 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL21101772 0.87 BRD4 (0.49) ALDH1A1NFATC1ALPLALPIBRD4
SCHEMBL21101905 0.85 ALPL (0.46) ALDH1A1GAANFATC1ALPLALPI
SCHEMBL21101771 0.83 POLB (0.55) POLBCTSD
SCHEMBL21102114 0.82 LMNA (0.52) KDM4EALDH1A1LMNAPOLBCTSD
SCHEMBL21102111 0.81 LMNA (0.59) KDM4EALDH1A1GAALMNACTSD
SCHEMBL21101904 0.81 ALDH1A1 (0.60) ALDH1A1GAALMNAPOLB
SCHEMBL21101906 0.75 KDM4E (0.66) KDM4EALDH1A1GAA
SCHEMBL21101769 0.75 NPC1 (0.46) ALDH1A1POLBBACE1
SCHEMBL21101778 0.74 KDM4E (0.52) KDM4EALDH1A1LMNA
SCHEMBL21101766 0.68 BRD4 (0.55) ALDH1A1GAABRD4LMNAPOLB

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