SCHEMBL6017565

SCHEMBL6017565

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
POLB P06746 4/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 5/20 0.45
HTT P42858 2/20 0.45
PKM P14618 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL27649590 0.86 KMT2A (0.48) HPGDGLAPOLBGAAKDM4E
SCHEMBL1416429 0.77 ALDH1A1 (0.53) HPGDGLAPOLBGAAKDM4E
SCHEMBL6019991 0.76 ALDH1A1 (0.57) HPGDGLAPOLBGAAKDM4E
SCHEMBL6026852 0.75 CCR1 (0.42) HPGDGLAPOLBGAAKDM4E
SCHEMBL11502178 0.75 ALDH1A1 (0.46) HPGDGLAPOLBGAAKDM4E
SCHEMBL20710660 0.74 KMT2A (0.51) HPGDGLAPOLBKDM4EALDH1A1
SCHEMBL10807183 0.74 ALDH1A1 (0.48) HPGDGLAPOLBKDM4EALDH1A1
SCHEMBL6017130 0.74 ALDH1A1 (0.48) HPGDGLAPOLBKDM4EALDH1A1
SCHEMBL11077845 0.73 ALDH1A1 (0.54) HPGDGLAPOLBGAAKDM4E
SCHEMBL6017567 0.73 SMN1; SMN2 (0.45) HPGDGLAPOLBGAAKDM4E

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