SCHEMBL8106601

SCHEMBL8106601

CNC(=O)Cc1cc[nH]c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ROCK2 O75116 3/20 0.33
POLB P06746 2/20 0.33
DAO P14920 1/20 0.32
PARP1 P09874 3/20 0.32
KDM4E B2RXH2 2/20 0.32
BLM P54132 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL11075684 0.81 KDM4E (0.49) KMT2APOLBKDM4EGAAMAPT
SCHEMBL11078552 0.80 KDM4E (0.40) KMT2APOLBKDM4EBLMMEN1
SCHEMBL5179199 0.79 GRIN2D (0.45) KMT2APOLBDAOPARP1KDM4E
SCHEMBL9094208 0.76 GABRA1 (0.48) KMT2APOLBDAOPARP1KDM4E
SCHEMBL5180007 0.74 KMT2A (0.51) KMT2AKDM4EGAAL3MBTL1LMNA
SCHEMBL19350248 0.74 CXCR2 (0.39) KMT2APOLBDAOPARP1KDM4E
SCHEMBL9625138 0.72 PRKCI (0.43) KMT2APOLBDAOPARP1KDM4E
SCHEMBL28257755 0.71 DAO (0.39) DAOPARP1KDM4EBLMLMNA
SCHEMBL10613388 0.69 ELANE (0.42) DAOKDM4EGAAALDH1A1HPGD
SCHEMBL4317417 0.69 DAO (0.34) DAOPARP1KDM4EBLMMAPT

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