SCHEMBL6608216

SCHEMBL6608216

CN(C)c1cc(NC(=O)O)c(NC(=O)CC(=O)c2cccc(-n3cccn3)c2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
KAT6A Q92794 3/20 0.38
LMNA P02545 1/20 0.38
NTRK1 P04629 1/20 0.36
TEK Q02763 1/20 0.36
GLS O94925 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
DGAT1 O75907 2/20 0.35
SYK P43405 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL6689698 0.90 L3MBTL1 (0.41) L3MBTL1POLBMEN1ALDH1A1KMT2A
SCHEMBL6166140 0.89 L3MBTL1 (0.38) L3MBTL1POLBKAT6ALMNANTRK1
SCHEMBL6624416 0.87 POLB (0.40) L3MBTL1POLBMEN1ALDH1A1KMT2A
SCHEMBL6624974 0.87 KAT6A (0.40) L3MBTL1KAT6ALMNATEKGLS
SCHEMBL27603765 0.85 L3MBTL1 (0.42) L3MBTL1POLBKAT6ALMNATEK
SCHEMBL6168682 0.83 TP53 (0.40) L3MBTL1POLBLMNAALDH1A1
SCHEMBL6164072 0.82 L3MBTL1 (0.36) L3MBTL1POLBKAT6ALMNASYK
SCHEMBL27615910 0.80 POLB (0.43) POLB
SCHEMBL6434059 0.80 POLB (0.37) L3MBTL1POLBKAT6ALMNANTRK1
SCHEMBL6626827 0.79 HSD11B1 (0.40) L3MBTL1POLBNTRK1MEN1ALDH1A1

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