SCHEMBL290830

SCHEMBL290830

CCCOCCNc1cc(NCc2ccc(S(C)(=O)=O)cc2)nc(Nc2nc(C)c(C(=O)OCC)s2)n1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.68
PDE3B Q13370 3/20 0.52
PDE3A Q14432 3/20 0.52
PDE2A O00408 2/20 0.52
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
DHODH Q02127 3/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
CSNK1D P48730 1/20 0.42

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
SCHEMBL290829 0.91 PDE5A (0.68) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL291191 0.88 PDE5A (0.69) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL6068491 0.88 PDE5A (0.69) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL5530361 0.86 PDE5A (0.71) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL6068427 0.86 PDE5A (0.71) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL291826 0.86 PDE5A (0.66) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL290818 0.84 PDE5A (0.66) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL291097 0.84 PDE5A (0.68) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL290819 0.84 PDE5A (0.68) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL6068634 0.83 PDE5A (0.63) PDE5APDE3BPDE3APDE2AALDH1A1

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
EP-2427193-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS Omeros Corporation (US) 2012-03-14 EP disclosed
WO-2010129036-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-11-11 WO disclosed