SCHEMBL8108280

SCHEMBL8108280

Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCO

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 1/20 0.67
NPC1 O15118 1/20 0.61
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK14 Q16539 1/20 0.41

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
SCHEMBL8108601 0.99 HTT (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8102028 0.95 HTT (0.70) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3357703 0.90 HTT (0.73) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30982746 0.89 MEN1 (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6327211 0.89 MEN1 (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30982687 0.89 MEN1 (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30982572 0.89 MEN1 (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9513067 0.88 SMN1; SMN2 (0.64) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16625507 0.88 SMN1; SMN2 (0.64) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20382958 0.86 HTT (0.71) HTTSMN1; SMN2MEN1KMT2AALDH1A1

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