SCHEMBL8102697

SCHEMBL8102697

CCCNC(=O)CCn1ccc(=O)c(O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.51
KDM4E B2RXH2 2/20 0.46
TP53 P04637 2/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM6A O15550 1/20 0.44
KDM4A O75164 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM5C P41229 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
DOHH Q9BU89 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
APP P05067 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL9513053 0.89 MAOB (0.51) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL9511623 0.87 MAOB (0.52) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL9512074 0.86 MAOB (0.48) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL9513643 0.85 APP (0.50) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL9513624 0.83 APP (0.48) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL18379425 0.80 MAOB (0.46) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL5085644 0.79 KDM4E (0.58) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL9515275 0.79 KDM4E (0.51) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL20382957 0.78 KDM4E (0.54) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL3686713 0.78 KDM4E (0.58) MAOBKDM4ETP53CYP2D6HTT

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
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-B1 3-Hydroxypyrid-4-ones and pharmaceutical compositions BRITISH TECH GROUP (GB) 1996-11-13 EP disclosed
EP-0305646-A2 3-Hydroxypyrid-4-ones and pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1989-03-08 EP disclosed
EP-0120670-B1 IRON III COMPLEXES OF HYDROXYPYRIDONES, AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-12-21 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