SCHEMBL8201573

SCHEMBL8201573

O=C(O)C(=CC(F)(F)F)c1ccccc1CBr

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.33
PTPN1 P18031 2/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
CES1 P23141 3/20 0.32
AKR1C1 Q04828 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CES2 O00748 1/20 0.31
GSK3B P49841 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BCAT2 O15382 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL8201571 1.00 FOLH1 (0.33) FOLH1PTPN1ERCC5FEN1CES1
SCHEMBL3459412 0.80 FOLH1 (0.37) FOLH1PTPN1ERCC5FEN1CES1
SCHEMBL7459530 0.80 FOLH1 (0.37) FOLH1PTPN1ERCC5FEN1CES1
SCHEMBL7691194 0.76 ERCC5 (0.36) FOLH1PTPN1ERCC5FEN1AKR1C1
SCHEMBL8208906 0.76 ERCC5 (0.45) ERCC5FEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL8208899 0.76 ERCC5 (0.45) ERCC5FEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5080478 0.75 ALDH1A1 (0.39) FOLH1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL3459410 0.75 ALDH1A1 (0.39) FOLH1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL7459526 0.75 ALDH1A1 (0.39) FOLH1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL9490817 0.73 ALDH1A1 (0.37) FOLH1ALDH1A1TSHRSMN1; SMN2LMNA

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-1021399-A2 FUNGICIDES WITH HYDROXIMIC AND HYDRAZONIC GROUPS AVENTIS CROPSCIENCE S.A. (FR) 2000-07-26 EP disclosed
WO-1998015512-A2 FUNGICIDES WITH HYDROXIMIC AND HYDRAZONIC GROUPS RHONE POULENC AGROCHIMIE (FR) 1998-04-16 WO disclosed