SCHEMBL4083577

SCHEMBL4083577

COc1ccccc1-c1ccccc1OC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SLC9A1 P19634 2/20 0.48
IKBKB O14920 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
APP P05067 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL29728528 0.90 KMT2A (0.46) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL3952526 0.88 CA1 (0.59) CA12CA1CA2CA4CA7
SCHEMBL1952638 0.87 MEN1 (0.46) CA12CA1CA2CA4CA7
SCHEMBL27615667 0.85 CYP1A2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL9244260 0.84 ALDH1A1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL28219543 0.84 NPSR1 (0.49) SLC9A1ALDH1A1MAPTHPGDKDM4E
SCHEMBL8765509 0.82 ALDH1A1 (0.53) CA12CA1CA2CA4CA7
SCHEMBL16236644 0.82 KDM4E (0.53) CA12CA1CA2CA4CA7
SCHEMBL4077193 0.81 BACE1 (0.51) CA1CA2MAPTHPGDTDP1
SCHEMBL17797000 0.81 ALDH1A1 (0.50) SLC9A1ALDH1A1HPGDKDM4EHSD17B10

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-1711183-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 EP disclosed
EP-1711183-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-10-18 EP disclosed
WO-2005067537-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-28 WO disclosed