SCHEMBL15740464

SCHEMBL15740464

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccc3cc(F)ccc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.41
MAPT P10636 5/20 0.37
MAPK1 P28482 2/20 0.37
AR P10275 4/20 0.36
HTT P42858 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TMEM97 Q5BJF2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.33
ABCB11 O95342 1/20 0.33
GLA P06280 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
SCHEMBL15740364 0.93 SIRT6 (0.41) SIRT6MAPTMAPK1ARHTT
SCHEMBL15740478 0.92 SIRT6 (0.41) SIRT6MAPTMAPK1ARHTT
SCHEMBL15740352 0.92 SIRT6 (0.41) SIRT6MAPTMAPK1ARHTT
SCHEMBL15740495 0.88 HRH3 (0.34) SIRT6MAPK1ARHTTCYP1A2
SCHEMBL15740405 0.88 AR (0.34) SIRT6MAPK1ARHTTCYP1A2
SCHEMBL15740435 0.88 CCR3 (0.38) MAPK1ARNPSR1TMEM97
SCHEMBL15740499 0.86 TMEM97 (0.40) ARTMEM97KCNH2
SCHEMBL2126718 0.86 CCNC (0.40) SIRT6MAPTMAPK1ARHTT
SCHEMBL15740736 0.84 SIRT6 (0.42) SIRT6MAPTMAPK1ARHTT
SCHEMBL15724707 0.84 SIRT6 (0.42) SIRT6MAPTMAPK1ARHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922845-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial, Inc. (US) 2015-09-30 EP disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed