SCHEMBL6260263

SCHEMBL6260263

COC(=O)c1ccc2c(C)onc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
XDH P47989 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
LCK P06239 1/20 0.44
ATAD2 Q6PL18 1/20 0.44
KIF11 P52732 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
CSNK2A1 P68400 1/20 0.43
DYRK1A Q13627 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41

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
SCHEMBL6260259 0.82 IP6K1 (0.52) KDM4ECA12CA2CA9TDP1
SCHEMBL11195889 0.76 CA1 (0.53) KDM4ECA12CA1CA2CA7
SCHEMBL5917980 0.75 BRD4 (0.46) KDM4ECA12CA1CA2CA7
SCHEMBL5767377 0.75 CA12 (0.49) KDM4ECA12CA1CA2CA7
SCHEMBL15723560 0.74 DHFR (0.50) KDM4ECA12CA1CA2CA7
SCHEMBL31173877 0.72 AR (0.49) KDM4ECA12CA1CA2CA7
SCHEMBL15660075 0.72 CA12 (0.49) KDM4ECA12CA1CA2CA7
SCHEMBL30040356 0.72 CA12 (0.49) KDM4ECA12CA1CA2CA7
SCHEMBL9945609 0.72 KDM4E (0.52) KDM4ECA12CA1CA2CA7
SCHEMBL29652456 0.71 MAPT (0.51) KDM4ECA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587511-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS Pharmacia & Upjohn Company LLC (US) 2005-10-26 EP disclosed
EP-1572205-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
EP-1572300-A1 COMBINATION FOR THE TREATMENT OF ADHD Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
WO-2004064836-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-08-05 WO disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004052348-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed