SCHEMBL4829920

SCHEMBL4829920

N#CCCCCCCCCCOc1ccccc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
MEN1 O00255 2/20 0.67
MAPT P10636 2/20 0.67
KMT2A Q03164 2/20 0.67
NR1I2 O75469 1/20 0.67
CHRM2 P08172 1/20 0.67
CYP3A4 P08684 1/20 0.67
ADRA2A P08913 1/20 0.67
OPRK1 P41145 1/20 0.67
HTR2B P41595 1/20 0.67
SLC6A3 Q01959 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HTT P42858 1/20 0.58
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 4/20 0.48
PARP1 P09874 2/20 0.48
TBXAS1 P24557 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.46
CTNNB1 P35222 1/20 0.44

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
Exalamide SCHEMBL27702423 0.80 LMNA (1.00) LMNAMEN1MAPTKMT2ANR1I2
SCHEMBL29627441 0.80 LMNA (1.00) LMNAMEN1MAPTKMT2ANR1I2
SCHEMBL874312 0.80 LMNA (1.00) LMNAMEN1MAPTKMT2ANR1I2
SCHEMBL4656110 0.80 LMNA (1.00) LMNAMEN1MAPTKMT2ANR1I2
Exalamide SCHEMBL151112 0.80 LMNA (1.00) LMNAMEN1MAPTKMT2ANR1I2
SCHEMBL9417650 0.80 LMNA (1.00) LMNAMEN1MAPTKMT2ANR1I2
SCHEMBL29603307 0.80 LMNA (1.00) LMNAMEN1MAPTKMT2ANR1I2
SCHEMBL873025 0.80 LMNA (1.00) LMNAMEN1MAPTKMT2ANR1I2
SCHEMBL5147507 0.80 LMNA (1.00) LMNAMEN1MAPTKMT2ANR1I2
SCHEMBL5878814 0.80 LMNA (1.00) LMNAMEN1MAPTKMT2ANR1I2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996180-A1 ANTIBACTERIAL AGENTS Prolysis Limited (GB) 2008-12-03 EP disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 WO disclosed