SCHEMBL4577459

SCHEMBL4577459

Nc1ccccc1OC(=O)[C@@H](N)CC(=O)c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
HSD17B10 Q99714 7/20 0.43
KDM4E B2RXH2 5/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 3/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CFTR P13569 1/20 0.39
MEN1 O00255 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10895522 0.88 KDM4E (0.46) ALDH1A1HSD17B10KDM4EHIF1ATDP1
SCHEMBL4458686 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EHIF1ATDP1
SCHEMBL9340040 0.82 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHIF1ATDP1
SCHEMBL25665243 0.82 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHIF1ATDP1
SCHEMBL30852342 0.82 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHIF1ATDP1
SCHEMBL30852281 0.81 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4EHIF1ATDP1
Kynurenine SCHEMBL2181581 0.78 KDM4E (0.64) ALDH1A1HSD17B10KDM4EHIF1ATDP1
Kynurenine SCHEMBL288988 0.78 KDM4E (0.64) ALDH1A1HSD17B10KDM4EHIF1ATDP1
L-Kynurenine SCHEMBL13969610 0.78 KDM4E (0.64) ALDH1A1HSD17B10KDM4EHIF1ATDP1
SCHEMBL247554 0.78 KDM4E (0.47) ALDH1A1HSD17B10KDM4EHIF1ATDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311299-A4 METHOD FOR THE IDENTIFICATION OF AGENTS THAT INHIBIT OR PROMOTE CATARACTS AND USES THEREOF GEN HOSPITAL CORP (US) 2008-01-02 EP disclosed
US-7166472-B2 Method for the identification of agents that inhibit or promote cataracts and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2007-01-23 US disclosed
US-20050084918-A1 Method for the identification of agents that inhibit or promote cataracts and uses thereof BUSH ASHLEY I (US) 2005-04-21 US disclosed
EP-1311299-A1 METHOD FOR THE IDENTIFICATION OF AGENTS THAT INHIBIT OR PROMOTE CATARACTS AND USES THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2003-05-21 EP disclosed
WO-2002015942-A1 METHOD FOR THE IDENTIFICATION OF AGENTS THAT INHIBIT OR PROMOTE CATARACTS AND USES THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2002-02-28 WO disclosed