SCHEMBL2778413

SCHEMBL2778413

CCN(C(=O)c1cc(C#N)cc(Br)c1C(N)=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.39
PDK2 Q15119 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.35
NSD2 O96028 3/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 2/20 0.33
NSD3 Q9BZ95 1/20 0.33
LMNA P02545 1/20 0.33
F2 P00734 1/20 0.32
PLAT P00750 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CCR5 P51681 1/20 0.32
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2780137 0.87 ALDH1A1 (0.40) TRPM8PDK2ALDH1A1TSHRNSD2
SCHEMBL2781592 0.86 SLC6A2 (0.40) TRPM8PDK2ALDH1A1TSHRNSD2
SCHEMBL2780921 0.82 TSHR (0.47) TRPM8ALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL2905905 0.74 HSD11B1 (0.35) NSD2
SCHEMBL2781610 0.72 TSHR (0.49) TRPM8ALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL2783257 0.71 TSHR (0.48) TRPM8PDK2ALDH1A1TSHRSLC6A2
SCHEMBL2778409 0.70 IRAK4 (0.39)
SCHEMBL2693737 0.70 IRAK4 (0.37) MEN1KMT2ATTRALB
SCHEMBL1685100 0.64 HSD11B1 (0.52) PDK2F2
SCHEMBL2901213 0.64 HSD11B1 (0.40) ALDH1A1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470007-A2 FOAMABLE PESTICIDE COMPOSITIONS AND METHODS OF APPLICATION BASF Corporation (US) 2012-07-04 EP claimed
WO-2010129345-A2 FOAMABLE PESTICIDE COMPOSITIONS BASF CORPORATION (US) 2010-11-11 WO claimed
WO-2010127019-A1 PESTICIDE COMPOSITIONS AND APPLICATORS BASF CORPORATION (US) 2010-11-04 WO claimed
EP-2470007-A2 FOAMABLE PESTICIDE COMPOSITIONS AND METHODS OF APPLICATION BASF Corporation (US) 2012-07-04 EP disclosed
WO-2010129345-A2 FOAMABLE PESTICIDE COMPOSITIONS BASF CORPORATION (US) 2010-11-11 WO disclosed
WO-2010127019-A1 PESTICIDE COMPOSITIONS AND APPLICATORS BASF CORPORATION (US) 2010-11-04 WO disclosed