SCHEMBL2127281

SCHEMBL2127281

O=[N+]([O-])c1ccc(OC2CCC(OC(C=S)N3CCN(c4ccc(C(F)(F)F)nc4)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.41
HRH3 Q9Y5N1 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
SERPINE1 P05121 4/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SLC6A9 P48067 1/20 0.33
CYP19A1 P11511 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
DHFR P00374 1/20 0.33
AR P10275 1/20 0.32
ACACB O00763 1/20 0.32
PARP1 P09874 1/20 0.32
LIPE Q05469 1/20 0.32

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
SCHEMBL2126885 0.93 SIRT6 (0.41) SIRT6HRH3PIK3CDPIK3CASERPINE1
SCHEMBL2126439 0.91 SIRT6 (0.41) SIRT6PIK3CDPIK3CASERPINE1MAPT
SCHEMBL2127785 0.87 CCNC (0.40) SIRT6HRH3MAPTLMNAHTT
SCHEMBL2126153 0.85 SERPINE1 (0.48) SIRT6HRH3SERPINE1LMNAACACB
SCHEMBL2125439 0.85 SERPINE1 (0.39) SIRT6SERPINE1MAPTLMNAHTT
SCHEMBL2126816 0.84 SIRT6 (0.41) SIRT6PIK3CDPIK3CASERPINE1MAPT
SCHEMBL2126453 0.83 MAPT (0.42) MAPTLMNAHTTSLC6A9
SCHEMBL2126718 0.80 CCNC (0.40) SIRT6HRH3MAPTLMNAHTT
SCHEMBL2617857 0.80 SIRT6 (0.41) SIRT6HRH3PIK3CDPIK3CASERPINE1
SCHEMBL2120611 0.80 SIRT6 (0.41) SIRT6HRH3PIK3CDPIK3CASERPINE1

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