SCHEMBL8100651

SCHEMBL8100651

Cc1c(OCc2ccccc2)c(=O)ccn1CCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NPC1 O15118 1/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.53
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ MAOB P27338 2/20 0.36

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
Hydrochloric Acid SCHEMBL8092524 0.99 HTT (0.57) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8106191 0.83 HTT (0.70) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20382948 0.82 HTT (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9010418 0.80 MEN1 (0.59) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8119717 0.79 HTT (0.58) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9515266 0.79 HTT (0.67) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3357703 0.78 HTT (0.73) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8122829 0.78 HTT (0.73) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9513067 0.77 SMN1; SMN2 (0.64) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16625507 0.77 SMN1; SMN2 (0.64) 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 9 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
EP-1006108-A1 3-Hydroxy-2(1H)-pyridinone or 3-hydroxy-4(1H)-pyridinone derivatives useful as reactive oxygen species (ROS) scavengers Cerebrus Pharmaceuticals Limited (GB) 2000-06-07 — — EP disclosed
EP-1006112-A1 3-Hydroxy-2(1H)-pyridinone or 3-hydroxy-4(1H)-pyridinone derivatives useful as reactive oxygen species (ROS) scavengers Cerebrus Pharmaceuticals Limited (GB) 2000-06-07 — — EP 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
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
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