SCHEMBL3711296

SCHEMBL3711296

COC(=O)c1cc(Cl)nc(N2CC(O)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PDE10A Q9Y233 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3709425 0.90 LMNA (0.46) LMNAKDM4EALDH1A1PIK3CAPIK3CB
SCHEMBL3720718 0.88 LMNA (0.41) LMNAKDM4EALDH1A1PIK3CAPIK3CB
SCHEMBL18528183 0.85 KMT2A (0.48) LMNAKDM4EALDH1A1PIK3CAPIK3CB
SCHEMBL3716189 0.83 LMNA (0.46) LMNAKDM4EALDH1A1PIK3CAPIK3CB
SCHEMBL20206898 0.83 LMNA (0.46) LMNAKDM4EALDH1A1PIK3CAPIK3CB
SCHEMBL3716897 0.82 KDM4E (0.47) LMNAKDM4EALDH1A1PIK3CAPIK3CB
SCHEMBL3710227 0.81 LMNA (0.48) LMNAPIK3CAPIK3CBMEN1KMT2A
SCHEMBL13188830 0.81 LMNA (0.48) LMNAPIK3CAPIK3CBMEN1KMT2A
SCHEMBL3714245 0.81 KDM4E (0.51) LMNAKDM4EALDH1A1PIK3CAPIK3CB
SCHEMBL3715312 0.80 PIK3CA (0.47) LMNAALDH1A1PIK3CAPIK3CBHPGD

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