SCHEMBL2127785

SCHEMBL2127785

O=[N+]([O-])c1ccc(NC2CCC(OC(C=S)N3CCN(c4ccc(C(F)(F)F)nc4)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
TMEM97 Q5BJF2 6/20 0.36
MAPT P10636 4/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC6A9 P48067 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
AR P10275 2/20 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
SCHEMBL2126718 0.93 CCNC (0.40) CCNCCDK8SIRT6HRH3TMEM97
SCHEMBL2127365 0.91 SIRT6 (0.39) SIRT6TMEM97MAPTMAPK1HTT
SCHEMBL2127281 0.87 SIRT6 (0.41) CCNCCDK8SIRT6HRH3MAPT
SCHEMBL2128389 0.86 SERPINE1 (0.45) HRH3MAPTHTTALDH1A1LMNA
SCHEMBL2125553 0.85 SERPINE1 (0.36) SIRT6TMEM97MAPTMAPK1HTT
SCHEMBL2126004 0.85 SIRT6 (0.40) SIRT6TMEM97MAPTMAPK1HTT
SCHEMBL2127941 0.84 MEN1 (0.39) MAPTMAPK1CYP2C9CYP2C19SLC6A9
SCHEMBL2118016 0.81 CCNC (0.42) CCNCCDK8SIRT6HRH3TMEM97
SCHEMBL2617807 0.81 CCNC (0.42) CCNCCDK8SIRT6HRH3TMEM97
SCHEMBL2617870 0.81 CCNC (0.42) CCNCCDK8SIRT6HRH3TMEM97

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