SCHEMBL7962710

SCHEMBL7962710

CCCOc1ccc(COCC)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.64
PDE6C P51160 3/20 0.64
HDAC6 Q9UBN7 10/20 0.64
KMT2A Q03164 2/20 0.64
PDE1A P54750 2/20 0.64
PDE1B Q01064 2/20 0.64
PDE1C Q14123 2/20 0.64
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
HDAC1 Q13547 8/20 0.63
HDAC2 Q92769 5/20 0.63
HDAC3 O15379 2/20 0.63
NCOR2 Q9Y618 2/20 0.63
KDM4E B2RXH2 1/20 0.61
PDE3A Q14432 3/20 0.60
PDE2A O00408 1/20 0.58
ABCC4 O15439 1/20 0.58
ABCC5 O15440 1/20 0.58
PDE6D O43924 1/20 0.58

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
SCHEMBL7963085 0.92 PDE5A (0.61) PDE5APDE6CHDAC6KMT2APDE1A
SCHEMBL7962143 0.89 KMT2A (0.59) PDE5APDE6CHDAC6KMT2APDE1A
SCHEMBL7960910 0.89 PDE5A (0.64) PDE5APDE6CHDAC6KMT2APDE1A
SCHEMBL7965467 0.89 PDE5A (0.66) PDE5APDE6CHDAC6KMT2APDE1A
SCHEMBL8804332 0.87 PDE5A (0.64) PDE5APDE6CHDAC6KMT2APDE1A
SCHEMBL18715171 0.86 PDE5A (0.75) PDE5APDE6CHDAC6KMT2APDE1A
SCHEMBL7965689 0.86 PDE5A (0.67) PDE5APDE6CHDAC6KMT2APDE1A
SCHEMBL7958884 0.85 PDE5A (0.66) PDE5APDE6CHDAC6KMT2APDE1A
SCHEMBL7962791 0.84 PDE5A (0.64) PDE5APDE6CHDAC6KMT2APDE1A
SCHEMBL7962137 0.83 PDE5A (0.67) PDE5APDE6CHDAC6KMT2AHDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0526004-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1997-10-08 EP disclosed
US-5426107-A Treatment of cardiovascular disorders, asthma, allergies PFIZER INC. (US) 1995-06-20 US disclosed
US-5272147-A Pyrazolopyrimidinone antianginal agents PFIZER INC. (US) 1993-12-21 US disclosed
EP-0526004-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1993-02-03 EP disclosed