SCHEMBL15906348

SCHEMBL15906348

CNC(=O)c1cc(C#N)cc(I)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.37
CARM1 Q86X55 1/20 0.37
PDE4B Q07343 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
ELANE P08246 1/20 0.35
SLC2A1 P11166 1/20 0.34
SLC2A2 P11168 1/20 0.34
SLC2A3 P11169 1/20 0.34
SLC2A4 P14672 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL12158541 0.93 CARM1 (0.38) KLKB1CARM1PDE4BF2F10
SCHEMBL782240 0.91 SLC2A1 (0.38) KLKB1CARM1PDE4BF2F10
SCHEMBL12911876 0.90 CARM1 (0.39) KLKB1CARM1PDE4BF10TRPV1
SCHEMBL15906347 0.89 KMT2A (0.36) TRPV1KMT2A
SCHEMBL15906336 0.85 PKM (0.35) SLC2A1SLC2A2SLC2A3SLC2A4KMT2A
SCHEMBL13105088 0.84 SLC2A1 (0.37) KLKB1CARM1PDE4BELANESLC2A1
SCHEMBL958266 0.84 CARM1 (0.38) KLKB1CARM1PDE4BF10TRPV1
SCHEMBL10140212 0.84 CARM1 (0.38) KLKB1CARM1F2F10SLC2A1
SCHEMBL782241 0.84 CARM1 (0.40) KLKB1CARM1PDE4BF10TRPV1
SCHEMBL12911831 0.84 CARM1 (0.43) KLKB1CARM1PDE4BF10TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759200-A1 Active agent combinations with insecticide properties Bayer CropScience AG (DE) 2014-07-30 EP disclosed