SCHEMBL21101772

SCHEMBL21101772

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
LMNA P02545 3/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
POLB P06746 4/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CTSD P07339 2/20 0.41
BACE1 P56817 1/20 0.41
MGAT2 Q10469 1/20 0.41
NFATC1 O95644 1/20 0.41
NQO2 P16083 1/20 0.40
MTNR1A P48039 1/20 0.40
GFER P55789 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 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
SCHEMBL21101905 0.88 ALPL (0.46) BRD4LMNAALPLALPIPOLB
SCHEMBL21101911 0.87 KDM4E (0.43) BRD4LMNAALPLALPIPOLB
SCHEMBL21101771 0.86 POLB (0.55) POLBCA1CA2CTSDHTT
SCHEMBL21102114 0.85 LMNA (0.52) LMNAPOLBALDH1A1CTSDMEN1
SCHEMBL21101904 0.84 ALDH1A1 (0.60) LMNAPOLBALDH1A1MAPTKMT2A
SCHEMBL21102111 0.82 LMNA (0.59) LMNAALDH1A1CTSDMEN1MAPT
SCHEMBL21101766 0.81 BRD4 (0.55) BRD4LMNAPOLBCA1CA2
SCHEMBL21101906 0.78 KDM4E (0.66) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL21101769 0.78 NPC1 (0.46) POLBALDH1A1BACE1HTTMEN1
SCHEMBL21101777 0.74 LMNA (0.53) BRD4LMNAPOLBCA1CA2

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