SCHEMBL21101905

SCHEMBL21101905

CCNS(=O)(=O)c1ccc(C)c(NC(=O)CNC(C)=N)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.46
ALPI P09923 1/20 0.46
BACE1 P56817 1/20 0.45
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.41
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MGAT2 Q10469 1/20 0.40
NFATC1 O95644 1/20 0.40
MAPK1 P28482 1/20 0.40
PTGDR2 Q9Y5Y4 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 0.88 BRD4 (0.49) ALPLALPIBACE1ALDH1A1POLB
SCHEMBL21101911 0.85 KDM4E (0.43) ALPLALPIBACE1GAAALDH1A1
SCHEMBL21101771 0.84 POLB (0.55) POLB
SCHEMBL21102114 0.83 LMNA (0.52) ALDH1A1POLBLMNA
SCHEMBL21101904 0.82 ALDH1A1 (0.60) GAAALDH1A1POLBLMNA
SCHEMBL21102111 0.80 LMNA (0.59) GAAALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL21101906 0.76 KDM4E (0.66) GAAALDH1A1
SCHEMBL21101769 0.76 NPC1 (0.46) BACE1ALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL21101766 0.71 BRD4 (0.55) GAAALDH1A1POLBBRD4LMNA
SCHEMBL14419466 0.71 BACE1 (0.55) BACE1ALDH1A1POLBLMNASMN1; SMN2

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