SCHEMBL3409802

SCHEMBL3409802

O=C(O)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.43
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RY12 Q9H244 2/20 0.37
CTH P32929 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LTB4R Q15722 2/20 0.34
CYSLTR2 Q9NS75 4/20 0.33
CYSLTR1 Q9Y271 4/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
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

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
SCHEMBL2861075 0.86 EPHX2 (0.41) MLYCDPDE3BPDE3AP2RY12EPHX2
SCHEMBL2865664 0.85 EPHX2 (0.42) MLYCDEPHX2
SCHEMBL2857704 0.84 PDE3B (0.37) MLYCDPDE3BPDE3AP2RY12LTB4R
SCHEMBL2869509 0.84 MLYCD (0.37) MLYCDPDE3BPDE3AP2RY12L3MBTL1
SCHEMBL2859557 0.84 PDE3B (0.38) MLYCDPDE3BPDE3AP2RY12CYSLTR2
SCHEMBL2866243 0.83 PDE3B (0.39) MLYCDPDE3BPDE3AP2RY12AGTR1
SCHEMBL2870239 0.83 EPHX2 (0.41) MLYCDPDE3BPDE3AP2RY12EPHX2
SCHEMBL2856847 0.82 PDE3B (0.35) MLYCDPDE3BPDE3AP2RY12LTB4R
SCHEMBL2863990 0.82 MLYCD (0.35) MLYCDPDE3BPDE3AP2RY12EPHX2
SCHEMBL3402147 0.82 MLYCD (0.39) MLYCDPDE3BPDE3AP2RY12CTH

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