SCHEMBL4589611

SCHEMBL4589611

CCNC(=O)C(CNC(=O)c1cccc([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4589321 0.86 POLB (0.52) KMT2AMEN1LMNAPOLBMRGPRX4
SCHEMBL4589375 0.83 LMNA (0.53) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL784676 0.81 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4588060 0.78 KMT2A (0.57) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL5177351 0.78 KMT2A (0.45) KMT2AMEN1LMNAPOLBCYP1A2
SCHEMBL5200663 0.73 KMT2A (0.53) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL6022882 0.72 KMT2A (0.54) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8884550 0.71 ATM (0.67) KMT2AMEN1ALDH1A1LMNAATM
SCHEMBL20333225 0.68 MAPK1 (0.56) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL20333222 0.67 KMT2A (0.45) KMT2AMEN1LMNAMAPTPOLB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885698-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2008-02-13 EP disclosed
EP-1773812-A1 3-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES Bayer CropScience S.A. (FR) 2007-04-18 EP disclosed
EP-1773777-A1 N-[2-(4-PYRIDINYL)ETHYL]BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2007-04-18 EP disclosed
EP-1771439-A1 4-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES USEFUL AS FUNGICIDES Bayer CropScience S.A. (FR) 2007-04-11 EP disclosed
WO-2006008194-A9 3-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2007-01-11 WO disclosed
EP-1740542-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2007-01-10 EP disclosed
WO-2006122952-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-11-23 WO disclosed
EP-1720865-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-11-15 EP disclosed
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-2006008194-A1 3-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-01-26 WO disclosed
WO-2006008192-A1 N-[2-(4-PYRIDINYL)ETHYL]BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-01-26 WO disclosed
WO-2006008193-A1 4-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-01-26 WO disclosed
EP-1597252-A1 PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS Bayer CropScience S.A. (FR) 2005-11-23 EP disclosed
WO-2005103004-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-11-03 WO disclosed
WO-2005085238-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-09-15 WO 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
WO-2005014545-A2 N-′2-(2-PYRIDINYL) ETHYLBENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2005-02-17 WO disclosed
WO-2004074280-A1 PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS BAYER CROPSCIENCE SA (FR) 2004-09-02 WO disclosed