SCHEMBL14306166

SCHEMBL14306166

COc1ccc(-c2nc(-c3c[nH]c(C(=O)O)c3)cs2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 15/20 0.54
ALDH1A1 P00352 1/20 0.46
XDH P47989 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 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
SCHEMBL14306164 0.91 EIF4E (0.49) EIF4EALDH1A1MEN1LMNAGAA
SCHEMBL16404016 0.87 EIF4E (0.52) EIF4E
SCHEMBL14306165 0.86 ATP4A (0.49) EIF4EALDH1A1MEN1LMNAGAA
SCHEMBL16404001 0.81 EIF4E (0.57) EIF4EALDH1A1MEN1LMNAGAA
SCHEMBL16404021 0.80 THRB (0.47) EIF4EMEN1MAPTKMT2A
SCHEMBL14318314 0.80 EIF4E (0.49) EIF4E
SCHEMBL14315416 0.79 EIF4E (0.61) EIF4EALDH1A1MEN1LMNAGAA
SCHEMBL6199409 0.76 ALDH1A1 (0.57) EIF4EALDH1A1MEN1GAAMAPT
SCHEMBL16404002 0.76 MAPT (0.51) EIF4EALDH1A1MEN1LMNAGAA
SCHEMBL6199744 0.75 EIF4E (0.55) EIF4EALDH1A1MEN1LMNAGAA

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-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 EP disclosed
EP-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 EP disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
WO-2012172438-A9 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2013-02-07 WO disclosed
WO-2012172438-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-20 WO disclosed