SCHEMBL17485151

SCHEMBL17485151

Cc1ccccc1-c1cc(C(N)=O)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
PLA2G7 Q13093 5/20 0.48
RORC P51449 4/20 0.45
GPBAR1 Q8TDU6 1/20 0.44
PARP1 P09874 2/20 0.43
CHEK2 O96017 1/20 0.43
MAP2 P11137 1/20 0.43
PDK2 Q15119 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL25680118 0.85 RORC (0.49) MAPK11MAPK14RORCPARP1
SCHEMBL3898821 0.83 PARP1 (0.48) PLA2G7PARP1PDK2HSD17B10
SCHEMBL2467682 0.77 TAS1R3 (0.50) PARP1SLC6A2SLC6A4SLC6A3HSD17B10
SCHEMBL7571088 0.77 GPBAR1 (0.50) MAPK11MAPK14PLA2G7GPBAR1SLC6A3
Hydrochloric Acid SCHEMBL2780402 0.77 RORC (0.50) RORCPARP1CHEK2HSD17B10
SCHEMBL7068916 0.76 CHEK2 (0.50) MAPK11MAPK14PLA2G7PARP1CHEK2
SCHEMBL29854461 0.75 MAPK14 (0.51) MAPK14PARP1CHEK2HSD17B10
SCHEMBL2950525 0.74 MKNK1 (0.60) PARP1CHEK2HSD17B10
SCHEMBL3636122 0.73 NR1H4 (0.56) PARP1PDK2
SCHEMBL10592032 0.73 PLA2G7 (0.47) PLA2G7MAP2HSD17B10

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-2016018872-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-02-04 WO disclosed