SCHEMBL15740352

SCHEMBL15740352

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.41
MAPT P10636 6/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 5/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
TMEM97 Q5BJF2 6/20 0.34
AR P10275 2/20 0.33
CES2 O00748 1/20 0.33
ABCB11 O95342 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 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 0.92 SIRT6 (0.41) SIRT6MAPTMAPK1HTTCYP1A2
SCHEMBL15740464 0.92 SIRT6 (0.41) SIRT6MAPTMAPK1HTTCYP1A2
SCHEMBL15740478 0.91 SIRT6 (0.41) SIRT6MAPTMAPK1HTTCYP1A2
SCHEMBL15740367 0.89 LMNA (0.34) SIRT6MAPTMAPK1HTTCYP1A2
SCHEMBL2126718 0.85 CCNC (0.40) SIRT6MAPTMAPK1HTTCYP1A2
SCHEMBL2126004 0.83 SIRT6 (0.40) SIRT6MAPTMAPK1HTTCYP1A2
SCHEMBL15740360 0.82 TMEM97 (0.36) SIRT6MAPK1HTTCYP1A2CYP2C9
SCHEMBL382069 0.82 SERPINE1 (0.42) SIRT6MAPTMAPK1HTTCYP1A2
SCHEMBL15708332 0.81 MAPT (0.47) SIRT6MAPTMAPK1CYP2C9CYP2C19
SCHEMBL15724753 0.81 MAPT (0.47) SIRT6MAPTMAPK1CYP2C9CYP2C19

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