SCHEMBL8102567

SCHEMBL8102567

CCNC(=O)Cn1cccc(OCc2ccccc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.54
KDM4E B2RXH2 6/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
IL1RN P18510 2/20 0.47
ERAP2 Q6P179 2/20 0.47
ERAP1 Q9NZ08 2/20 0.47
RORA P35398 1/20 0.46
NR5A1 Q13285 1/20 0.46
MAPK14 Q16539 2/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
ALDH1A1 P00352 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44

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
SCHEMBL8106183 0.91 KDM4E (0.51) BRD4KDM4EMAPTNPC1HTT
SCHEMBL8102831 0.89 KDM4E (0.49) BRD4KDM4EMAPTNPC1HTT
SCHEMBL8106275 0.88 IL1RN (0.49) BRD4KDM4EMAPTNPC1HTT
SCHEMBL20382946 0.83 MAPK14 (0.49) BRD4MAPTIL1RNERAP2ERAP1
SCHEMBL8100824 0.83 MAPK14 (0.49) BRD4MAPTIL1RNERAP2ERAP1
SCHEMBL621806 0.83 IL1RN (0.45) BRD4KDM4EMAPTNPC1HTT
SCHEMBL9512037 0.80 KDM4E (0.44) KDM4EMAPTNPC1HTTIL1RN
SCHEMBL622182 0.78 ALDH1A1 (0.50) BRD4KDM4EMAPTNPC1HTT
SCHEMBL20382942 0.78 MAPK14 (0.52) MAPTNPC1HTTMAPK14ALDH1A1
SCHEMBL8126132 0.77 MTNR1A (0.45) KDM4EMAPTIL1RNERAP2ERAP1

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-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
EP-0120670-A1 Iron III complexes of hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed