SCHEMBL6017272

SCHEMBL6017272

NC(CO)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.49
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
PKM P14618 1/20 0.48
PLAU P00749 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 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
SCHEMBL29858300 0.86 MAPK1 (0.50) MAPK1KMT2AALDH1A1MEN1GAA
SCHEMBL28824727 0.86 MAPK1 (0.50) MAPK1KMT2AALDH1A1MEN1GAA
SCHEMBL20994042 0.82 MAPK1 (0.54) MAPK1KMT2AALDH1A1MEN1GAA
SCHEMBL28824731 0.81 MAPK1 (0.46) MAPK1KMT2AALDH1A1MEN1GAA
SCHEMBL29858081 0.81 MAPK1 (0.46) MAPK1KMT2AALDH1A1MEN1GAA
SCHEMBL20533743 0.79 KMT2A (0.55) MAPK1KMT2AALDH1A1MEN1GAA
SCHEMBL3370446 0.79 KMT2A (0.58) MAPK1KMT2AALDH1A1MEN1GAA
SCHEMBL784569 0.78 MAPK1 (0.52) MAPK1KMT2AALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL5202859 0.77 GAA (0.45) MAPK1KMT2AALDH1A1MEN1GAA
SCHEMBL10611673 0.76 MAPK1 (0.56) MAPK1KMT2AALDH1A1MEN1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694648-A1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2006-08-30 EP disclosed
EP-1694649-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-08-30 EP disclosed
WO-2005058828-A1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE S.A. (FR) 2005-06-30 WO disclosed
WO-2005058833-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-06-30 WO disclosed