SCHEMBL7003161

SCHEMBL7003161

CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)Nc1c(C(N)=O)nn(Cc2ccccn2)c1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.62
KMT2A Q03164 3/20 0.52
PDE6C P51160 1/20 0.46
KDM4E B2RXH2 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6200638 0.93 PDE5A (0.68) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL6446727 0.92 PDE5A (0.54) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL6446606 0.92 PDE5A (0.54) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL6444896 0.92 PDE5A (0.62) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL7005723 0.90 PDE5A (0.56) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL6444195 0.87 PDE5A (0.56) PDE5AKMT2APDE6CKDM4EALDH1A1
SCHEMBL6200684 0.87 PDE5A (0.60) PDE5AKMT2APDE6C
SCHEMBL6443433 0.86 PDE5A (0.56) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL6446584 0.86 PDE5A (0.55) PDE5AKMT2APDE6CKDM4EALDH1A1
SCHEMBL6446331 0.85 PDE5A (0.55) PDE5AKMT2APDE6CKDM4ERXFP1

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-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed