SCHEMBL7961638

SCHEMBL7961638

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)CBr)ccc3OCC)nc12

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.83
PDE6C P51160 2/20 0.83
HDAC6 Q9UBN7 11/20 0.72
HDAC1 Q13547 10/20 0.72
HDAC2 Q92769 7/20 0.72
HDAC3 O15379 1/20 0.70
NCOR2 Q9Y618 1/20 0.70
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
HPGD P15428 1/20 0.69
PDE1A P54750 1/20 0.69
PDE1B Q01064 1/20 0.69
PDE1C Q14123 1/20 0.69
KDM4E B2RXH2 1/20 0.66
POLB P06746 1/20 0.64

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
SCHEMBL7959465 0.94 PDE5A (0.73) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL26766367 0.94 PDE5A (0.85) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL31155653 0.92 PDE5A (0.82) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL25013451 0.92 PDE5A (0.82) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7961020 0.91 PDE5A (1.00) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7960838 0.91 PDE5A (0.86) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL18714952 0.90 PDE5A (0.85) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL15996104 0.89 PDE5A (0.83) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL16003752 0.89 PDE5A (0.87) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL25013469 0.88 PDE5A (0.85) 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