SCHEMBL5673095

SCHEMBL5673095

CC(N)(O)c1cccc(-c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 5/20 0.53
▸ MKNK2 Q9HBH9 5/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ PSIP1 O75475 1/20 0.53
▸ AXL P30530 1/20 0.53
▸ KIF11 P52732 2/20 0.51
▸ CYP2A6 P11509 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ KMO O15229 1/20 0.47
▸ EPHX2 P34913 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ CYP19A1 P11511 4/20 0.44
▸ CYP11B1 P15538 3/20 0.44
▸ CYP11B2 P19099 3/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ CYP17A1 P05093 2/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL2733410 0.83 KIF11 (0.68) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL7675386 0.80 KMO (0.55) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL20089424 0.80 KIF11 (0.64) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL10940225 0.76 NPY5R (0.64) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL3655647 0.75 NPY5R (0.43) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL12103445 0.74 CYP2A6 (0.79) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL30620885 0.74 CYP2A6 (0.79) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL17951830 0.74 CYP2A6 (0.79) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL13179001 0.74 KIF11 (0.70) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL4502483 0.73 KIF11 (0.73) MKNK1MKNK2KIF11CYP2A6ALDH1A1

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-1581510-A4 1-ARYL-2-HYDROXYETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 — — EP disclosed
EP-1581510-A2 1-ARYL-2-HYDROXYETHYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 — — EP disclosed
WO-2004047743-A2 1-ARYL-2-HYDROXYETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 — — WO disclosed
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