SCHEMBL9953189

SCHEMBL9953189

CCS(=O)(=O)c1cccc(C(F)(F)F)c1-c1ncco1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.41
NR1H3 Q13133 6/20 0.41
P2RX7 Q99572 1/20 0.38
CFTR P13569 1/20 0.35
SLC40A1 Q9NP59 1/20 0.34
EDNRB P24530 5/20 0.34
EDNRA P25101 5/20 0.34
CBLB Q13191 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL9952746 0.75 GABRG2 (0.44) NR1H2NR1H3P2RX7CFTRCBLB
SCHEMBL9953159 0.74 ALDH1A1 (0.40) NR1H2NR1H3P2RX7SLC40A1SLC22A12
SCHEMBL9952337 0.74 TAAR1 (0.44) NR1H2NR1H3SLC40A1SLC22A12NFE2L2
SCHEMBL9953786 0.73 P2RX7 (0.35) P2RX7CFTRCBLB
SCHEMBL10292998 0.70 KMT2A (0.53) SLC22A12
SCHEMBL21849756 0.69 HCRTR1 (0.36) P2RX7
SCHEMBL9953091 0.69 NFE2L2 (0.36) NR1H2NR1H3P2RX7SLC22A12NFE2L2
SCHEMBL21848966 0.68 HCRTR1 (0.39) P2RX7
SCHEMBL26028910 0.66 GABRA1 (0.41) P2RX7EDNRBEDNRA
SCHEMBL31348092 0.65 TRPV1 (0.40) CFTR

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