SCHEMBL6689698

SCHEMBL6689698

CN(C)c1cc(NC(=O)O)c(NC(=O)CC(=O)c2cccc(-n3ccnn3)c2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
NOTUM Q6P988 3/20 0.40
CMA1 P23946 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KEAP1 Q14145 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
GPR142 Q7Z601 1/20 0.34

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
SCHEMBL6608216 0.90 L3MBTL1 (0.41) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL6164712 0.89 L3MBTL1 (0.38) L3MBTL1POLBNOTUMMAPK9MAPK10
SCHEMBL6624416 0.85 POLB (0.40) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL6626827 0.83 HSD11B1 (0.40) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL6168682 0.83 TP53 (0.40) L3MBTL1POLBALDH1A1
SCHEMBL6164277 0.82 L3MBTL1 (0.36) L3MBTL1POLBNOTUMKMT2AMEN1
SCHEMBL6689705 0.81 NOTUM (0.39) L3MBTL1POLBNOTUMCMA1KEAP1
SCHEMBL6166867 0.81 L3MBTL1 (0.36) L3MBTL1POLBNOTUMMAPK9MAPK10
SCHEMBL27615910 0.80 POLB (0.43) POLB
SCHEMBL6434623 0.80 NOTUM (0.39) L3MBTL1POLBNOTUMCMA1KMT2A

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