SCHEMBL6028289

SCHEMBL6028289

N#CCC(C(N)=O)(c1ccccn1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
PGR P06401 1/20 0.40
THRB P10828 1/20 0.40
ADRB3 P13945 1/20 0.40
OPRK1 P41145 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE3A Q14432 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR7 Q9NYK1 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2700564 0.81 TDP1 (0.42) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL2053108 0.72 L3MBTL1 (0.45) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL2465434 0.72 SMN1; SMN2 (0.50) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL6795553 0.68 SMN1; SMN2 (0.50) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL476472 0.66 SMN1; SMN2 (0.43) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL28637349 0.65 L3MBTL1 (0.50) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL8283520 0.65 MAPT (0.52) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL28841329 0.65 SMN1; SMN2 (0.46) TSHRSMN1; SMN2L3MBTL1KDM4EHTT
Urea SCHEMBL28161295 0.65 SMN1; SMN2 (0.54) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL21246245 0.64 SMN1; SMN2 (0.44) TDP1SLC22A2SLC22A1PGRTHRB

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-1694648-A1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES 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