SCHEMBL6689705

SCHEMBL6689705

CN(C)c1cc(N(NC(=O)CC(=O)c2cccc(-n3ccnn3)c2)C(=O)O)ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CMA1 P23946 1/20 0.36
PTGS2 P35354 1/20 0.35
KEAP1 Q14145 1/20 0.34
POLB P06746 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33

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
SCHEMBL6689698 0.81 L3MBTL1 (0.41) NOTUML3MBTL1CMA1KEAP1POLB
SCHEMBL6164712 0.76 L3MBTL1 (0.38) NOTUML3MBTL1POLBMAPK9MAPK10
SCHEMBL27603769 0.72 NOTUM (0.44) NOTUML3MBTL1KEAP1MAPK10
SCHEMBL6608216 0.71 L3MBTL1 (0.41) L3MBTL1POLB
SCHEMBL6623169 0.71 NOTUM (0.54) NOTUMKEAP1
SCHEMBL7115204 0.70 KMO (0.36)
SCHEMBL17336682 0.70 POLB (0.39) POLB
SCHEMBL27603765 0.70 L3MBTL1 (0.42) L3MBTL1POLB
SCHEMBL6164277 0.69 L3MBTL1 (0.36) NOTUML3MBTL1POLBMAPK9MAPK10
SCHEMBL17336772 0.69 POLB (0.38) L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed