SCHEMBL30148433

SCHEMBL30148433

CCS(=O)(=O)c1cccnc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.50
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NAPRT Q6XQN6 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
TSHR P16473 1/20 0.39
NFE2L2 Q16236 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
PSIP1 O75475 1/20 0.38
ALOX5AP P20292 1/20 0.37

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
SCHEMBL22499916 1.00 COMT (0.50) COMTKDM4EGAAMAPTAPOBEC3G
SCHEMBL15461581 0.80 NAPRT (0.42) KDM4EGAAMAPTAPOBEC3GNPSR1
SCHEMBL19434109 0.80 COMT (0.53) COMTKDM4EGAAMAPTAPOBEC3G
SCHEMBL10834405 0.78 COMT (0.51) COMTKDM4EGAAMAPTAPOBEC3G
SCHEMBL24391531 0.77 COMT (0.50) COMTKDM4EGAAMAPTAPOBEC3G
SCHEMBL31541867 0.77 ALOX5AP (0.45) KDM4EGAAMAPTAPOBEC3GNAPRT
SCHEMBL31634191 0.77 COMT (0.50) COMTKDM4EGAAMAPTAPOBEC3G
SCHEMBL31634213 0.77 COMT (0.50) COMTKDM4EGAAMAPTAPOBEC3G
SCHEMBL11970978 0.77 COMT (0.50) COMTKDM4EGAAMAPTAPOBEC3G
SCHEMBL9489728 0.77 COMT (0.50) COMTKDM4EGAAMAPTAPOBEC3G

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
CN-113905607-B Heterocyclic compound and harmful arthropod control composition containing same 住友化学株式会社 2022-12-27 CN disclosed