SCHEMBL6999211

SCHEMBL6999211

COC(=O)c1nn(Cc2ccc(Br)cc2)c(C(=O)O)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.45
MAPK8 P45983 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FAAH O00519 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK10 P53779 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.39
PTGS2 P35354 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPK9 P45984 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
SCHEMBL6999206 0.93 CYP1A2 (0.47) CYP1A2SMN1; SMN2PKMMAPK8MEN1
SCHEMBL6993863 0.86 CYP1A2 (0.49) CYP1A2SMN1; SMN2PKMMEN1KMT2A
SCHEMBL7002027 0.82 ALDH1A1 (0.44) CYP1A2SMN1; SMN2PKMMEN1KMT2A
SCHEMBL6996336 0.80 TSHR (0.48) CYP1A2SMN1; SMN2PKMKMT2AGAA
SCHEMBL25399382 0.80 L3MBTL1 (0.50) CYP1A2SMN1; SMN2MEN1KMT2AFAAH
SCHEMBL7002826 0.80 CYP1A2 (0.60) CYP1A2SMN1; SMN2PKMMAPK8MEN1
SCHEMBL6993859 0.79 CYP1A2 (0.48) CYP1A2SMN1; SMN2MEN1KMT2AFAAH
SCHEMBL7002020 0.77 ALDH1A1 (0.46) CYP1A2SMN1; SMN2MEN1KMT2AFAAH
SCHEMBL7004143 0.76 SMN1; SMN2 (0.44) CYP1A2SMN1; SMN2MEN1KMT2AGAA
SCHEMBL6996330 0.72 TSHR (0.50) CYP1A2SMN1; SMN2PKMKMT2AGAA

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 4 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
EP-1123296-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2001-08-16 EP disclosed
WO-2000024745-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2000-05-04 WO disclosed