SCHEMBL7108385

SCHEMBL7108385

C#Cc1ccncc1.C(C#Cc1ccncc1)#Cc1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.76
GRM5 P41594 2/20 0.37
FFAR1 O14842 1/20 0.35
KEAP1 Q14145 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
PDK1 Q15118 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TDO2 P48775 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL139430 0.87
SCHEMBL1190707 0.87 HDAC8 (0.52) HDAC8GRM5FFAR1PIK3CAMTOR
Hydrochloric Acid SCHEMBL1190733 0.85
SCHEMBL15283861 0.82 HDAC8 (0.46) HDAC8FFAR1KEAP1MAPTCA12
SCHEMBL12873263 0.78 APP (0.52) HDAC8GRM5FFAR1PIK3CAMTOR
SCHEMBL1820120 0.76 HDAC8 (0.58) HDAC8GRM5FFAR1PIK3CAMTOR
SCHEMBL1649302 0.73 HDAC8 (0.55) HDAC8GRM5FFAR1PIK3CAMTOR
SCHEMBL140223 0.73 HDAC8 (0.71) HDAC8KEAP1LMNAMAPTCA12
Ammonia Solution, Strong SCHEMBL7107393 0.71 HDAC8 (0.38) HDAC8GRM5FFAR1PIK3CAMTOR
SCHEMBL1306534 0.70 HDAC8 (0.50) HDAC8FFAR1KEAP1MAPTCA12

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
EP-1144423-B1 BIS-TERPYRIDINE-PLATINUM(II) COMPLEXES ISIS INNOVATION (GB) 2003-10-22 EP disclosed