SCHEMBL28629299

SCHEMBL28629299

Nc1ccc(NNc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
EPHX2 P34913 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KIF11 P52732 1/20 0.45
KCNH2 Q12809 2/20 0.44
SCN5A Q14524 2/20 0.44
SCN9A Q15858 2/20 0.44
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL31212780 0.89 MAPT (0.61) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL31212781 0.89 MAPT (0.61) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL5073 0.87 TDP1 (0.50) MAPTEPHX2L3MBTL1KDM4EKIF11
Hydrochloric Acid SCHEMBL8756363 0.85 TDP1 (0.48) MAPTEPHX2L3MBTL1KDM4EKIF11
Hydrochloric Acid SCHEMBL3785323 0.85 TDP1 (0.48) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL22323507 0.81 TRPV1 (0.56) MAPTEPHX2KDM4EALDH1A1KMT2A
SCHEMBL1242144 0.81 KIF11 (0.52) MAPTEPHX2L3MBTL1KIF11KCNH2
SCHEMBL633116 0.81 ALDH1A1 (0.64) MAPTEPHX2KCNH2SCN5ASCN9A
Water SCHEMBL28159078 0.80 MAPT (0.54) MAPTEPHX2L3MBTL1KDM4EKIF11
Hydrochloric Acid SCHEMBL29386875 0.79 KIF11 (0.50) MAPTEPHX2KIF11KCNH2SCN5A

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-113347883-A Pesticidal compositions and methods 科迪华农业科技有限责任公司 2021-09-03 CN disclosed