SCHEMBL27705154

SCHEMBL27705154

Cc1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
MBOAT4 Q96T53 1/20 0.43
MPO P05164 1/20 0.43
GAA P10253 2/20 0.41
GRIN2B Q13224 2/20 0.41
EPHX1 P07099 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
DAO P14920 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TYMS P04818 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL551593 0.88 SLC6A4 (0.44) SLC6A4MBOAT4MPOGAAGRIN2B
SCHEMBL13254981 0.81 TDP1 (0.45) GAAGRIN2BKDM4EMAPTMAPK1
SCHEMBL2092054 0.79 SLC6A4 (0.56) SLC6A4MPOGRIN2BMAPTALDH1A1
SCHEMBL6867025 0.79 ALDH1A1 (0.54) GAAKDM4EMAPTMAPK1ALDH1A1
SCHEMBL13581008 0.79 KDM4E (0.49) GAAKDM4EMAPTMAPK1ALDH1A1
SCHEMBL28128209 0.77 MAPK8 (0.48) SLC6A4MPOGAAEPHX1KDM4E
SCHEMBL27705150 0.76 PARP1 (0.41) GAAKDM4EMAPTALDH1A1TSHR
SCHEMBL2119535 0.76 ALDH1A1 (0.58) GAAKDM4EMAPTALDH1A1TSHR
SCHEMBL27705162 0.75 ALDH1A1 (0.46) MBOAT4GAAKDM4EMAPTMAPK1
SCHEMBL22232105 0.75 SLC6A4 (0.48) SLC6A4MBOAT4MPOGRIN2BALDH1A1

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
CN-101198589-B N-benzanilides with insecticidal activity BAYER CROPSCIENCE AG 2012-07-18 CN disclosed
CN-101198589-A N-benzanilides with insecticidal activity BAYER CROPSCIENCE AG (DE) 2008-06-11 CN disclosed