SCHEMBL7499444

SCHEMBL7499444

Cc1ccc(Cc2nc3c([nH]c(=O)n3C(C)CCCc3ccccc3)c(=O)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.40
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
PNP P00491 1/20 0.38
CCNE2 O96020 2/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
PDE9A O76083 1/20 0.37
PDE1C Q14123 1/20 0.37
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCNB2 O95067 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
SCHEMBL7503850 0.96 PDE2A (0.42) PDE2AKMT2AHPGDALDH1A1LMNA
SCHEMBL7512245 0.89 PDE2A (0.41) PDE2AKMT2AHPGDALDH1A1LMNA
SCHEMBL7500192 0.87 PDE2A (0.55) PDE2AHPGDALDH1A1CCNE2CDK4
SCHEMBL7504024 0.81 PDE2A (0.41) PDE2AKMT2AHPGDALDH1A1LMNA
SCHEMBL1960594 0.79 PDE2A (0.43) PDE2AKMT2AHPGDATM
SCHEMBL7438629 0.77 PDE2A (0.44) PDE2AKMT2AHPGDALDH1A1LMNA
SCHEMBL6998879 0.75 PDE2A (0.44) PDE2AKMT2AALDH1A1CCNE2CDK4
SCHEMBL2831825 0.74 PDE2A (0.46) PDE2AKMT2AHPGDPDE9APDE1C
SCHEMBL6992823 0.74 PDE9A (0.53) PDE2AKMT2APDE9APDE1C
SCHEMBL6051959 0.74 PDE2A (0.63) PDE2AKMT2ALMNAPNPPDE9A

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