SCHEMBL8332153

SCHEMBL8332153

CN1c2ccccc2C(C(=O)OS(=O)(=O)C(F)(F)F)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
EGFR P00533 2/20 0.42
SRC P12931 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B1 P14061 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 2/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35

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
SCHEMBL4798227 0.83 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7046013 0.80 HDAC4 (0.41) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL4804624 0.79 HDAC4 (0.40) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL2996951 0.78 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL2992029 0.77 HDAC4 (0.67) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL38661846 0.77 HDAC4 (0.67) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL28319597 0.77 HDAC4 (0.48) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7702433 0.76 HDAC4 (0.50) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL38665311 0.76 HDAC4 (0.50) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL14491000 0.76 HDAC4 (0.60) HDAC4HDAC7HDAC5EGFRSRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819119-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN INC (US) 1999-04-14 EP disclosed
EP-0819119-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN, INC. (US) 1998-01-21 EP disclosed
WO-1997026245-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN, INC. (US) 1997-07-24 WO disclosed