SCHEMBL8657495

SCHEMBL8657495

N#CC(C#N)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ACHE P22303 1/20 0.38
AOC3 Q16853 1/20 0.38
NFE2L2 Q16236 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CNR2 P34972 1/20 0.36
TRPA1 O75762 1/20 0.35
TSHR P16473 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
SCHEMBL3556521 0.81 HDAC4 (0.42) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL2162950 0.79 TSHR (0.57) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL28241554 0.79 TRPA1 (0.57) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL31377021 0.79 HDAC4 (0.41) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL2339913 0.79 HDAC4 (0.41) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL7860964 0.79 IDO1 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL16957359 0.79 HDAC4 (0.41) HDAC4HDAC7HDAC5IDO1TDO2
Hydrochloric Acid SCHEMBL5743370 0.78 IDO1 (0.47) HDAC4HDAC7HDAC5IDO1TDO2
Hydrochloric Acid SCHEMBL5743371 0.78 IDO1 (0.47) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL17187573 0.77 CES2 (0.35) IDO1TDO2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172272-B1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & CO (US) 2020-11-25 EP disclosed
WO-2016014122-A1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & COMPANY (US) 2016-01-28 WO disclosed
EP-0714893-B1 2-substituted benzothiazole derivatives useful in the treatment of diabetic complications GRELAN PHARMACEUTICAL CO (JP) 1998-10-21 EP disclosed
US-5700819-A ALDOSE REDUCTASE ENZYME INHIBITOR GRELAN PHARMACEUTICAL CO., LTD. (JP) 1997-12-23 US disclosed
EP-0714893-A1 2-substituted benzothiazole derivatives useful in the treatment of diabetic complications GRELAN PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP disclosed