SCHEMBL28192543

SCHEMBL28192543

CC(=O)Oc1ccc(CN)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
LMNA P02545 3/20 0.50
KDM4E B2RXH2 5/20 0.46
GLA P06280 3/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 2/20 0.44
FLT3 P36888 1/20 0.44
NR3C2 P08235 1/20 0.43
POLB P06746 3/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL22596400 0.82 ACHE (0.51) ACHELMNAKDM4EGLAGAA
SCHEMBL27642118 0.81 LMNA (0.44) ACHELMNAKDM4EGLAGAA
SCHEMBL27814169 0.81 LMNA (0.44) ACHELMNAKDM4EGLAGAA
SCHEMBL27703407 0.81 LMNA (0.44) ACHELMNAKDM4EGLAGAA
SCHEMBL14700558 0.79 ACHE (0.49) ACHELMNAKDM4EGLAGAA
SCHEMBL28023568 0.79 ACHE (0.49) ACHELMNAKDM4EGLAGAA
SCHEMBL862851 0.79 ACHE (0.65) ACHELMNAKDM4EGLAGAA
SCHEMBL2600214 0.78 ACHE (0.54) ACHELMNAKDM4EGLAGAA
SCHEMBL9847986 0.78 THRB (0.46) ACHELMNAKDM4EALDH1A1CYP3A4
SCHEMBL9847992 0.78 THRB (0.46) ACHELMNAKDM4EALDH1A1CYP3A4

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
CN-107522634-A Biaryl ureas carboxylic acid derivates or its salt and its production and use 复旦大学 2017-12-29 CN disclosed