SCHEMBL27705162

SCHEMBL27705162

Cc1ccc(Cc2ccc(SC(F)(F)F)cc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PTPRZ1 P23471 4/20 0.45
PTPN1 P18031 2/20 0.45
MBOAT4 Q96T53 1/20 0.43
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
PARP1 P09874 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP1 P29466 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
KIF11 P52732 1/20 0.35
CYP3A4 P08684 2/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL551038 0.88 ALDH1A1 (0.46) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL12775090 0.81 TDP1 (0.52) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL6867025 0.79 ALDH1A1 (0.54) ALDH1A1TDP1KDM4EMAPTTSHR
SCHEMBL18998006 0.79 PTPRZ1 (0.65) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL27705150 0.76 PARP1 (0.41) ALDH1A1TDP1KDM4EMAPTTSHR
SCHEMBL2119535 0.76 ALDH1A1 (0.58) ALDH1A1TDP1KDM4EMAPTTSHR
SCHEMBL27705154 0.75 SLC6A4 (0.44) ALDH1A1KDM4EMBOAT4MAPTTSHR
SCHEMBL13964420 0.74 ALDH1A1 (0.48) ALDH1A1TDP1KDM4EMAPTTSHR
SCHEMBL9610058 0.72 SKP2 (0.53) ALDH1A1TDP1KDM4EMAPTTSHR
SCHEMBL4157946 0.71 ALDH1A1 (0.52) ALDH1A1TDP1KDM4EPTPRZ1PTPN1

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