SCHEMBL7500192

SCHEMBL7500192

COc1ccc(Cc2nc3c([nH]c(=O)n3C(C)CCCc3ccccc3)c(=O)[nH]2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.55
POLB P06746 1/20 0.44
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EBP Q15125 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RNASEH1 O60930 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7503850 0.89 PDE2A (0.42) PDE2ACCNE2CDK4CCND1CCNE1
SCHEMBL7499444 0.87 PDE2A (0.40) PDE2ACCNE2CDK4CCND1CCNE1
SCHEMBL2835216 0.81 PDE2A (0.55) PDE2APOLBCCNE2CDK4CCND1
SCHEMBL6991709 0.81 PDE2A (0.58) PDE2APOLBCCNE2CDK4CCND1
SCHEMBL4947310 0.77 PDE2A (0.62) PDE2APOLBCCNE2CDK4CCND1
SCHEMBL7512245 0.76 PDE2A (0.41) PDE2ACCNE2CDK4CCND1CCNE1
SCHEMBL7354927 0.76 PDE2A (0.57) PDE2APOLBCCNE2CDK4CCND1
SCHEMBL7000731 0.76 PDE2A (0.57) PDE2APOLBALDH1A1TP53HPGD
SCHEMBL4163282 0.75 PDE2A (0.62) PDE2APOLBCCNE2CDK4CCND1
SCHEMBL6999184 0.75 PDE2A (0.57) PDE2ACCNE2CDK4CCND1CCNE1

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
WO-1998032755-A1 PURINE DIONES AS PHOSPHODIESTERASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-30 WO disclosed