SCHEMBL6392149

SCHEMBL6392149

O=C(O)NC(F)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CNR2 P34972 2/20 0.50
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.38
EEF2K O00418 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSA P10619 2/20 0.38
HDAC4 P56524 1/20 0.37
PTPN1 P18031 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL25375819 0.79 GAA (0.50) GAACNR2CES2CES1MEN1
SCHEMBL27228952 0.77 CNR2 (0.50) GAACNR2CES2CES1EEF2K
SCHEMBL6398252 0.75 CYP2D6 (0.44) CES2CES1KMT2ALMNAHDAC4
SCHEMBL15269542 0.75 ROCK2 (0.47) GAACNR2CES2CES1MEN1
SCHEMBL16054881 0.75 GAA (0.46) GAACNR2CES2CES1MEN1
SCHEMBL3447746 0.74 CNR2 (0.48) GAACNR2CES2CES1EEF2K
SCHEMBL19458984 0.74 CNR2 (0.50) GAACNR2CES2CES1MEN1
Hydrochloric Acid SCHEMBL22190205 0.74 IDO1 (0.40) GAACNR2CES2CES1MEN1
SCHEMBL28041534 0.72 MEN1 (0.45) GAACNR2CES2CES1MEN1
SCHEMBL27992149 0.72 CNR2 (0.46) GAACNR2CES2CES1MEN1

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
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed