SCHEMBL6548754

SCHEMBL6548754

COC[N]c1cccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.37
CES2 O00748 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6548997 0.78 REV1 (0.40) REV1CES2BCHECES1HTR2C
SCHEMBL1547936 0.70 REV1 (0.43) REV1CES2BCHECES1HTR2C
SCHEMBL22637692 0.69 REV1 (0.60) REV1CES2BCHECES1HTR2C
SCHEMBL6549651 0.69 REV1 (0.37) REV1CES2BCHECES1HTR2C
Methoxymethane SCHEMBL27855311 0.69 CES2 (0.44) CES2BCHECES1TDP1L3MBTL1
SCHEMBL9074582 0.68 REV1 (0.44) REV1CES2BCHECES1HTR2C
SCHEMBL14297801 0.66 CES2 (0.43) REV1CES2BCHECES1HTR2C
SCHEMBL2642685 0.65 IDO1 (0.42) TDP1L3MBTL1ALDH1A1
SCHEMBL3108849 0.64 ACHE (0.39) TDP1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20608004 0.63 L3MBTL1 (0.42) TDP1L3MBTL1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed