SCHEMBL8102831

SCHEMBL8102831

CCCCNC(=O)Cn1cccc(OCc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
NR5A1 Q13285 2/20 0.49
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
IL1RN P18510 2/20 0.46
ERAP2 Q6P179 2/20 0.46
ERAP1 Q9NZ08 2/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
BRD4 O60885 1/20 0.45
KMT2A Q03164 1/20 0.45

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 0.93 KDM4E (0.51) KDM4ENR5A1MAPTHTTNPC1
SCHEMBL8102567 0.89 BRD4 (0.54) KDM4ENR5A1MAPTHTTNPC1
SCHEMBL9512037 0.85 KDM4E (0.44) KDM4ENR5A1MAPTHTTNPC1
SCHEMBL8106275 0.83 IL1RN (0.49) KDM4EMAPTHTTNPC1IL1RN
SCHEMBL8126132 0.82 MTNR1A (0.45) KDM4EMAPTMTNR1AMTNR1BRXFP1
SCHEMBL20382946 0.80 MAPK14 (0.49) MAPTIL1RNERAP2ERAP1BRD4
SCHEMBL20382949 0.80 MAPK14 (0.50) MAPTHTTHPGDKMT2A
SCHEMBL8100824 0.79 MAPK14 (0.49) MAPTIL1RNERAP2ERAP1POLB
SCHEMBL621806 0.79 IL1RN (0.45) KDM4EMAPTHTTNPC1RXFP1
SCHEMBL8102437 0.77 ERAP2 (0.60) KDM4ENR5A1MAPTHTTIL1RN

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 7 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-0120670-A1 Iron III complexes of hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed