SCHEMBL2126004

SCHEMBL2126004

COc1ccc(N2CCN(C(C=O)OC3CCC(Nc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.40
MAPT P10636 5/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TMEM97 Q5BJF2 8/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 2/20 0.34
OGA O60502 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CES2 O00748 1/20 0.34
ABCB11 O95342 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL2127365 0.94 SIRT6 (0.39) SIRT6MAPTHTTLMNAL3MBTL1
SCHEMBL2126718 0.91 CCNC (0.40) SIRT6MAPTHTTLMNATMEM97
SCHEMBL2126816 0.88 SIRT6 (0.41) SIRT6MAPTHTTLMNAALDH1A1
SCHEMBL2127785 0.85 CCNC (0.40) SIRT6MAPTHTTLMNATMEM97
SCHEMBL2126360 0.83 SERPINE1 (0.45) MAPTHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL15740364 0.83 SIRT6 (0.41) SIRT6MAPTHTTLMNATMEM97
SCHEMBL15740464 0.83 SIRT6 (0.41) SIRT6MAPTHTTLMNAL3MBTL1
SCHEMBL2124155 0.83 SERPINE1 (0.37) SIRT6HTTLMNATMEM97ALDH1A1
SCHEMBL15740352 0.83 SIRT6 (0.41) SIRT6MAPTHTTLMNAL3MBTL1
SCHEMBL2125848 0.83 SERPINE1 (0.37) SIRT6MAPTHTTLMNATMEM97

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-2443091-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-04-25 EP disclosed
WO-2010146083-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-12-23 WO disclosed