SCHEMBL17833259

SCHEMBL17833259

O=NC(=O)C1CCCCC1C(=O)NNc1cc(Cl)cc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
GRM4 Q14833 7/20 0.54
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL17835239 0.86 GRM4 (0.73) GRM4KMT2AMEN1RAB9APOLB
SCHEMBL14698148 0.70 GRM4 (1.00) GAAGRM4KMT2AMEN1RAB9A
SCHEMBL359675 0.70 GRM4 (1.00) GAAGRM4KMT2AMEN1RAB9A
SCHEMBL367814 0.70 GRM4 (1.00) GAAGRM4KMT2AMEN1RAB9A
SCHEMBL15060591 0.70 GRM4 (1.00) GAAGRM4KMT2AMEN1RAB9A
SCHEMBL19204353 0.67 GAA (0.67) GAAKMT2AMEN1RAB9APOLB
SCHEMBL21160883 0.67 GAA (0.67) GAAKMT2AMEN1RAB9APOLB
SCHEMBL19204430 0.66 GAA (0.65) GAAKMT2AMEN1RAB9APOLB
SCHEMBL19204433 0.66 GAA (0.65) GAAKMT2AMEN1RAB9APOLB
SCHEMBL22017807 0.66 GAA (0.65) GAAKMT2AMEN1RAB9APOLB

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
WO-2016094682-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2016-06-16 WO disclosed