SCHEMBL14831731

SCHEMBL14831731

COc1cc(N)ccc1N(CCO)CCO

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
GAA P10253 4/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NR4A1 P22736 1/20 0.39
USP2 O75604 1/20 0.38
CYP19A1 P11511 5/20 0.37
LMNA P02545 1/20 0.37
GAK O14976 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 SCHEMBL14833948 0.98 GAA (0.46) MAPTGAATSHRMAPK1HTT
SCHEMBL19696314 0.94 MAPT (0.42) MAPTGAATSHRMAPK1HTT
SCHEMBL7891011 0.87 CYP19A1 (0.44) MAPTGAATSHRMAPK1HTT
SCHEMBL14320992 0.85 MAPT (0.46) MAPTGAATSHRMAPK1HTT
Hydrochloric Acid SCHEMBL7464368 0.82 GAA (0.46) MAPTGAATSHRMAPK1HTT
SCHEMBL8419857 0.81 CA12 (0.47) MAPTGAAALDH1A1LMNA
SCHEMBL6571978 0.81 HTR7 (0.41) MAPTGAATSHRMAPK1HTT
SCHEMBL6572269 0.81 NR3C1 (0.39) MAPTGAATSHRMAPK1HTT
SCHEMBL6081370 0.81 GAA (0.52) MAPTGAATSHRMAPK1HTT
Hydrochloric Acid SCHEMBL9793009 0.80 CA12 (0.46) MAPTGAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840729-B2 Azo mediators and methods of use thereof ROCHE DIABETES CARE, INC. (US) 2017-12-12 US disclosed
EP-2760825-B1 AZO MEDIATORS HOFFMANN LA ROCHE (CH) 2016-09-14 EP disclosed
EP-2760825-A1 AZO MEDIATORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 EP disclosed
US-20140212903-A1 AZO MEDIATORS AND METHODS OF USE THEREOF ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-07-31 US disclosed
WO-2013045487-A1 AZO MEDIATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed
WO-2013045487-A1 AZO MEDIATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed