SCHEMBL3715952

SCHEMBL3715952

COC(=O)c1cc(Cl)nc(N2CCCC(OC)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.42
LMNA P02545 1/20 0.41
MAP4K4 O95819 1/20 0.41
POLB P06746 1/20 0.40
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
DGAT2 Q96PD7 1/20 0.39
GRM5 P41594 1/20 0.38
LRRK2 Q5S007 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ADRA1A P35348 1/20 0.37
AIMP2 Q13155 1/20 0.37
NAPEPLD Q6IQ20 1/20 0.37

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
SCHEMBL3720718 0.88 LMNA (0.41) LMNATDP1
SCHEMBL3711790 0.85 LMNA (0.50) ACACBLMNA
SCHEMBL20206898 0.84 LMNA (0.46) LMNATDP1
SCHEMBL3716189 0.84 LMNA (0.46) LMNA
SCHEMBL3716897 0.82 KDM4E (0.47) LMNAPOLBTDP1
SCHEMBL3709425 0.82 LMNA (0.46) LMNAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13188830 0.81 LMNA (0.48) LMNA
SCHEMBL3710227 0.81 LMNA (0.48) LMNA
SCHEMBL3711296 0.79 LMNA (0.41) LMNAPOLBTDP1
Hydrochloric Acid SCHEMBL3281624 0.77 LMNA (0.52) LMNATDP1

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed