SCHEMBL530182

SCHEMBL530182

CNC(=O)C(C)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GBA1 P04062 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 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
SCHEMBL7221265 0.83 KMT2A (0.58) ALDH1A1HTTTDP1KDM4ERAB9A
SCHEMBL27964357 0.82 ALDH1A1 (0.53) ALDH1A1HTTTDP1KDM4ERAB9A
SCHEMBL6561226 0.82 ALDH1A1 (0.53) ALDH1A1HTTTDP1KDM4ERAB9A
SCHEMBL15331980 0.80 ALDH5A1 (0.48) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL8846996 0.79 KMT2A (0.47) ALDH1A1HTTTDP1KDM4ERAB9A
SCHEMBL11404976 0.79 ALDH1A1 (0.43) ALDH1A1HTTTDP1KDM4ERAB9A
SCHEMBL2555020 0.79 ALDH5A1 (0.47) ALDH1A1HTTPOLBLMNAKMT2A
SCHEMBL8036807 0.79 CRHBP (0.53) ALDH1A1KDM4EPOLBLMNAKMT2A
SCHEMBL4824448 0.78 L3MBTL1 (0.62) ALDH1A1HTTTDP1KDM4ERAB9A
SCHEMBL3043522 0.78 ALDH1A1 (0.59) ALDH1A1HTTTDP1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598522-A2 RECOMBINANT LECTINS, BINDING-SITE MODIFIED LECTINS AND USES THEREOF Smartcells, Inc. (US) 2013-06-05 EP disclosed
WO-2012015691-A2 RECOMBINANT LECTINS, BINDING-SITE MODIFIED LECTINS AND USES THEREOF SMARTCELLS, INC. (US) 2012-02-02 WO disclosed
EP-2331017-A1 ESOPHAGEAL VALVE VYS RA Biomedical Limited (IE) 2011-06-15 EP disclosed
WO-2009153768-A1 ESOPHAGEAL VALVE VYSΕRA BIOMEDICAL LIMITED (IE) 2009-12-23 WO disclosed