SCHEMBL5285031

SCHEMBL5285031

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1sccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.54
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
RXFP1 Q9HBX9 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
PRKCZ Q05513 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RORB Q92753 3/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6229196 0.80 GABRA1 (0.67) BCAT2GABRA1GABRG2GABRB3GABRA5
SCHEMBL5299783 0.76 PKM (0.47) ALDH1A1HPGDLMNAL3MBTL1NPC1
SCHEMBL3256879 0.76 BCAT2 (0.57) BCAT2GABRA1GABRG2GABRB3GABRA5
SCHEMBL8709909 0.75 SLC6A3 (0.55) BCAT2KMT2AMEN1SMN1; SMN2
SCHEMBL2980845 0.74 BCAT2 (0.68) BCAT2GABRA1GABRG2GABRB3GABRA5
SCHEMBL9121778 0.73 BCAT2 (0.72) BCAT2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1670982 0.73 BCAT2 (0.72) BCAT2GABRA1GABRG2GABRB3GABRA5
SCHEMBL28542886 0.72 BCAT2 (0.55) BCAT2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4445671 0.71 BCAT2 (1.00) BCAT2GABRA1GABRG2GABRB3GABRA5
SCHEMBL30952652 0.70 BCAT2 (0.62) BCAT2GABRA1GABRG2GABRB3GABRA5

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed