SCHEMBL7962200

SCHEMBL7962200

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.59
PDE6C P51160 1/20 0.59
HDAC6 Q9UBN7 10/20 0.57
HDAC1 Q13547 8/20 0.57
HDAC2 Q92769 5/20 0.57
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE1C Q14123 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HDAC3 O15379 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL7962205 1.00 PDE5A (0.59) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7950897 0.95 PDE5A (0.66) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7950902 0.95 PDE5A (0.66) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL8808193 0.90 PDE5A (0.63) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL8808200 0.90 PDE5A (0.63) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7964973 0.84 PDE5A (0.71) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7964970 0.84 PDE5A (0.71) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7959696 0.82 PDE5A (0.68) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7959701 0.82 PDE5A (0.68) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7965689 0.80 PDE5A (0.67) PDE5APDE6CHDAC6HDAC1HDAC2

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