SCHEMBL3402147

SCHEMBL3402147

O=C(O)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 2/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYSLTR2 Q9NS75 5/20 0.32
CYSLTR1 Q9Y271 5/20 0.32
LTB4R Q15722 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
CTH P32929 1/20 0.32
TBXAS1 P24557 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL3403346 0.89 MLYCD (0.36) MLYCDL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL3406275 0.89 MLYCD (0.36) MLYCDL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL3409564 0.88 MLYCD (0.35) MLYCDL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL3403843 0.86 PDE3B (0.35) MLYCDL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL3409022 0.86 MLYCD (0.35) MLYCDL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL3403239 0.85 MLYCD (0.35) MLYCDL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL3405824 0.85 MLYCD (0.34) MLYCDPDE3BPDE3AP2RY12
SCHEMBL3409373 0.84 EPHX2 (0.35) MLYCDL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL3407491 0.84 PDE3B (0.35) MLYCDL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL3407428 0.84 MLYCD (0.34) MLYCDL3MBTL1PDE3BPDE3AP2RY12

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed