SCHEMBL9953091

SCHEMBL9953091

CCS(=O)(=O)c1cccc(C(F)(F)F)c1-c1nccn1COC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.36
NR1H2 P55055 7/20 0.36
NR1H3 Q13133 6/20 0.36
SLC22A12 Q96S37 3/20 0.35
P2RX7 Q99572 1/20 0.34
CCR4 P51679 1/20 0.34
DDR1 Q08345 1/20 0.33
HTR6 P50406 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
SCHEMBL9952055 0.79 P2RX7 (0.34) P2RX7
SCHEMBL9953189 0.69 NR1H2 (0.41) NFE2L2NR1H2NR1H3SLC22A12P2RX7
SCHEMBL9952337 0.69 TAAR1 (0.44) NFE2L2NR1H2NR1H3SLC22A12
SCHEMBL9953159 0.69 ALDH1A1 (0.40) NFE2L2NR1H2NR1H3SLC22A12P2RX7
SCHEMBL9952641 0.69 SLC40A1 (0.38) HTR6
SCHEMBL9952851 0.69 TP53 (0.33) P2RX7
SCHEMBL9952650 0.67 P2RX7 (0.36) P2RX7
SCHEMBL9953076 0.66 KDM4E (0.33) DDR1
SCHEMBL10292998 0.66 KMT2A (0.53) SLC22A12
SCHEMBL9952655 0.64 CNR2 (0.32)

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-2655337-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF Sumitomo Chemical Company Limited (JP) 2013-10-30 EP disclosed
WO-2012086848-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 WO disclosed