SCHEMBL6017267

SCHEMBL6017267

CC(NC(=O)c1sccc1I)c1ccccc1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
PKM P14618 2/20 0.40
PDE2A O00408 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6026852 0.81 CCR1 (0.42) GAALMNAPOLBPDE2ASMN1; SMN2
SCHEMBL6017269 0.79 P2RX7 (0.45) GAALMNAPOLBPKMSMN1; SMN2
SCHEMBL783415 0.74 GAA (0.46) GAALMNAPOLBPKMKMT2A
SCHEMBL784585 0.73 GAA (0.49) GAALMNAPOLBPKMSMN1; SMN2
SCHEMBL6017130 0.71 ALDH1A1 (0.48) LMNAPOLBPKMSMN1; SMN2KMT2A
SCHEMBL784477 0.70 MAPK1 (0.43) GAALMNAPOLBPKMSMN1; SMN2
SCHEMBL6017281 0.67 MAPT (0.52) GAALMNAPOLBPKMKMT2A
SCHEMBL6017565 0.67 HPGD (0.50) GAALMNAPOLBPKMSMN1; SMN2
SCHEMBL6553866 0.66 LMNA (0.60) GAALMNAPOLBPDE2ASMN1; SMN2
SCHEMBL27649590 0.65 KMT2A (0.48) GAALMNAPOLBPKMSMN1; SMN2

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