SCHEMBL8102332

SCHEMBL8102332

NCCn1ccc(=O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DOHH Q9BU89 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TYR P14679 1/20 0.54
CA12 O43570 9/20 0.47
CA1 P00915 9/20 0.47
CA2 P00918 9/20 0.47
CA9 Q16790 9/20 0.47
COMT P21964 5/20 0.42
MAOB P27338 1/20 0.40
KDM6A O15550 1/20 0.33
KDM4A O75164 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM5C P41229 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL17128963 0.85 DOHH (0.50) DOHHKDM4ETYRCA12CA1
SCHEMBL10924548 0.81 TYR (0.50) DOHHKDM4ETYRCA12CA1
SCHEMBL6348803 0.78 TYR (0.55) DOHHKDM4ETYRCA12CA1
SCHEMBL14221992 0.77 CA12 (0.40) DOHHKDM4ETYRCA12CA1
SCHEMBL16088174 0.77 NPC1 (0.47) DOHHKDM4ETYRCA12CA1
SCHEMBL7640934 0.76 TYR (0.53) DOHHKDM4ETYRCA12CA1
SCHEMBL30982965 0.75 NPC1 (0.49) DOHHKDM4ETYR
SCHEMBL30982680 0.75 NPC1 (0.49) DOHHKDM4ETYR
SCHEMBL30983057 0.75 NPC1 (0.49) DOHHKDM4ETYR
SCHEMBL5517575 0.75 KDM4E (0.53) DOHHKDM4ETYRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0120669-A2 Hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP claimed
US-RE36831-E TREATMENT OF IRON DEFICIENCY ANEMIA BRITISH TECHNOLOGY GROUP LTD. (GB) 2000-08-22 US disclosed
US-RE35948-E TREATING TOXIC METAL CONCENTRATION BY ADMINISTERING N-SUBSTITUTED 3-HYDROXYPYRID-2-ONE OR 3-HYDROXYPYRID-4-ONE BRITISH TECHNOLOGY GROUP LTD. (GB) 1998-11-03 US disclosed
EP-0305646-A2 3-Hydroxypyrid-4-ones and pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1989-03-08 EP disclosed
US-4650793-A NITROGEN-SUBSTITUTED NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-03-17 US disclosed
US-4585780-A CHELATION OF HEAVY METALS IN BLOOD NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-04-29 US disclosed
EP-0120669-A2 Hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed
EP-0120670-A1 Iron III complexes of hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed