SCHEMBL9953159

SCHEMBL9953159

CCS(=O)(=O)c1cccc(C(F)(F)F)c1-c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
P2RX7 Q99572 3/20 0.37
SLC40A1 Q9NP59 1/20 0.34
SDHB P21912 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
SCD O00767 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PDPK1 O15530 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
SCHEMBL9954038 0.75 GABRA1 (0.43) ALDH1A1TDP1P2RX7SCDLOXL2
SCHEMBL9952337 0.74 TAAR1 (0.44) NR1H2NR1H3SLC40A1SLC22A12NFE2L2
SCHEMBL9953189 0.74 NR1H2 (0.41) NR1H2NR1H3P2RX7SLC40A1SLC22A12
SCHEMBL10873651 0.74 ALDH1A1 (0.43) ALDH1A1TDP1P2RX7SCDLOXL2
SCHEMBL10292998 0.70 KMT2A (0.53) ALDH1A1SLC22A12
SCHEMBL5693095 0.70 TDP1 (0.35) ALDH1A1TDP1LOXL2PDPK1
SCHEMBL23644501 0.69 GAA (0.35)
SCHEMBL9953091 0.69 NFE2L2 (0.36) NR1H2NR1H3P2RX7SLC22A12NFE2L2
SCHEMBL3058083 0.67 ALDH1A1 (0.51) ALDH1A1TDP1P2RX7SCDPDPK1
SCHEMBL5950061 0.66 ADORA2A (0.40) ALDH1A1LOXL2PDPK1

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