SCHEMBL6009970

SCHEMBL6009970

Cc1nn(CC2CCCCO2)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
PDE8B O95263 11/20 0.41
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 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
SCHEMBL332338 0.85 PDE8B (0.41) GAAPDE8BKMT2APOLBLMNA
SCHEMBL10733902 0.74 MAPT (0.56) KMT2AHTTPOLBSMN1; SMN2LMNA
SCHEMBL1810376 0.72 HPGD (0.40) GAAHTTPOLBSMN1; SMN2
SCHEMBL10917161 0.72 SMN1; SMN2 (0.55) KMT2AHTTPOLBSMN1; SMN2LMNA
SCHEMBL23880176 0.71 PDE8B (0.42) GAAPDE8BKMT2APOLBLMNA
SCHEMBL28262270 0.71 SMN1; SMN2 (0.47) KMT2AHTTPOLBSMN1; SMN2LMNA
SCHEMBL10918765 0.70 SMN1; SMN2 (0.43) KMT2AHTTPOLBSMN1; SMN2LMNA
SCHEMBL5414653 0.70 POLB (0.41) KMT2AHTTPOLBSMN1; SMN2LMNA
SCHEMBL6629463 0.69 SMN1; SMN2 (0.49) SMN1; SMN2
SCHEMBL30141552 0.69 PDE8B (0.43) GAAPDE8BKMT2A

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-1689751-A1 5,7-DIAMINOPYRAZOLO¬4,3-D|PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY Pfizer Limited (GB) 2006-08-16 EP disclosed
WO-2005049616-A1 5,7-DIAMINOPYRAZOLO [4,3-d] PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LIMITED (GB) 2005-06-02 WO disclosed