SCHEMBL4621807

SCHEMBL4621807

CC(C)(O)C#Cc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.44
HDAC8 Q9BY41 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
GRM5 P41594 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
FFAR1 O14842 1/20 0.37
MAP3K14 Q99558 1/20 0.37
HTT P42858 1/20 0.36
PIKFYVE Q9Y2I7 2/20 0.36
TTBK1 Q5TCY1 1/20 0.36
PAK4 O96013 1/20 0.36
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
SCHEMBL12391039 0.84 ASIC3 (0.50) ASIC3HAO1L3MBTL1LMNAMAPT
SCHEMBL8873911 0.82 L3MBTL1 (0.50) ASIC3GRM5L3MBTL1KMT2AFFAR1
SCHEMBL13597757 0.82 HRH3 (0.45) HDAC8HAO1GRM5LMNAMAPT
SCHEMBL25234950 0.80 SLC2A4 (0.42) ASIC3MAPTFFAR1HTT
SCHEMBL487465 0.77 MAPT (0.56) ASIC3HAO1L3MBTL1LMNAMAPT
SCHEMBL4863464 0.76 CYP2A6 (0.50) GRM5
Methyl Alcohol SCHEMBL28280712 0.76 GRM5 (0.52) HDAC8HAO1GRM5LMNAMAPT
SCHEMBL14268091 0.76 ASIC3 (0.49) ASIC3HAO1GRM5L3MBTL1LMNA
SCHEMBL12711667 0.76 APP (0.47) ASIC3HAO1L3MBTL1LMNAMAPT
SCHEMBL1571249 0.74 ASIC3 (0.44) ASIC3HAO1L3MBTL1LMNAMAPT

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-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed
EP-1144423-B1 BIS-TERPYRIDINE-PLATINUM(II) COMPLEXES ISIS INNOVATION (GB) 2003-10-22 EP disclosed
EP-1144423-A1 BIS-TERPYRIDINE-PLATINUM(II) COMPLEXES ISIS INNOVATION LIMITED (GB) 2001-10-17 EP disclosed
WO-2000043405-A1 BIS-TERPYRIDINE-PLATINUM(II) COMPLEXES ISIS INNOVATION LIMITED (GB) 2000-07-27 WO disclosed