SCHEMBL6186699

SCHEMBL6186699

C=C(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13623386 0.78 HTT (0.54) GAAHTTLMNATP53MAPK1
SCHEMBL14925781 0.72 HTT (0.41) GAAHTTLMNATP53MAPK1
SCHEMBL25142230 0.70 HTT (0.46) GAAHTTLMNATP53MAPK1
SCHEMBL3069428 0.70 HTT (0.48) GAAHTTLMNATP53MAPK1
SCHEMBL757647 0.69 CES2 (0.37) GAAHTTLMNATP53MAPK1
SCHEMBL2354218 0.68 HTT (0.54) GAAHTTLMNATP53MAPK1
SCHEMBL12857122 0.67 GAA (0.58) GAAHTTLMNATP53MAPK1
SCHEMBL25142234 0.67 HTT (0.43) GAAHTTLMNATP53MAPK1
SCHEMBL8472464 0.66 HTT (0.52) GAAHTTLMNATP53MAPK1
SCHEMBL28623178 0.66 HDAC6 (0.55) GAAHTTLMNATP53MAPK1

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-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed