SCHEMBL28357565

SCHEMBL28357565

CCc1ccccc1-c1ncsc1C(=O)O.N=[N+]=N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CLCN2 P51788 1/20 0.34
PTPRC P08575 1/20 0.34
ADORA2A P29274 1/20 0.32
GAA P10253 1/20 0.32
PLEC Q15149 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2C Q14957 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ATR Q13535 1/20 0.31

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
SCHEMBL17843997 0.94 KDM4E (0.45) KDM4EPKMALDH1A1HPGDTDP1
SCHEMBL19743209 0.83 SLC9A1 (0.33) ADORA2A
SCHEMBL21092113 0.82 FGFR1 (0.38) KDM4EPKMADORA2AGRIN3BGRIN1
SCHEMBL5550685 0.81 KDM4E (0.41) KDM4EPKMALDH1A1CLCN2ADORA2A
SCHEMBL17843999 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL17844016 0.78 SLC9A1 (0.33) ADORA2A
SCHEMBL27920106 0.75 KDM4E (0.47) KDM4EPKM
SCHEMBL24509432 0.74 RORB (0.46) KDM4EPKMALDH1A1
SCHEMBL27582958 0.74 KDM4E (0.43) KDM4EPKMALDH1A1ADORA2AGAA
SCHEMBL24508661 0.74 ALDH1A2 (0.47) KDM4EPKMHPGDADORA2AGAA

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-107105657-B Molecules having pesticidal utility, and intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-03-03 CN disclosed