SCHEMBL6017281

SCHEMBL6017281

O=C(NCCCCc1ncc(C(F)(F)F)cc1Cl)c1sccc1I

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
GLA P06280 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SLC40A1 Q9NP59 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4006228 0.82 GLA (0.53) MAPTGAAGLAALDH1A1KMT2A
SCHEMBL6017269 0.79 P2RX7 (0.45) MAPTGAAPKMGLAKMT2A
SCHEMBL3926612 0.79 MAPT (0.60) MAPTGLAALDH1A1KMT2AMEN1
SCHEMBL784585 0.77 GAA (0.49) MAPTGAAPKMGLAALDH1A1
SCHEMBL6026868 0.77 GLA (0.53) MAPTGAAGLAALDH1A1KMT2A
SCHEMBL4796623 0.76 KMT2A (0.51) MAPTGLAALDH1A1KMT2AMEN1
SCHEMBL783415 0.76 GAA (0.46) GAAPKMGLAALDH1A1KMT2A
SCHEMBL726447 0.74 GLA (0.58) MAPTGAAGLAALDH1A1KMT2A
SCHEMBL784477 0.74 MAPK1 (0.43) GAAPKMALDH1A1KMT2AMEN1
SCHEMBL3781264 0.73 GLA (0.54) MAPTGAAGLAALDH1A1KMT2A

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