SCHEMBL6607286

SCHEMBL6607286

O=C(O)CC(=O)c1cccc(-n2cccn2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
KAT6A Q92794 6/20 0.56
GLS O94925 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PLOD2 O00469 3/20 0.42
PLOD3 O60568 3/20 0.42
PLOD1 Q02809 3/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
TEK Q02763 1/20 0.41

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
SCHEMBL12883023 0.84 LMNA (0.51) LMNAKAT6AGLSFFAR4PLOD2
SCHEMBL29488339 0.83 KAT6A (0.59) LMNAKAT6AFFAR4ERCC1ERCC4
SCHEMBL940668 0.83 KAT6A (0.59) LMNAKAT6AFFAR4ERCC1ERCC4
SCHEMBL24247727 0.82 KAT6A (0.49) LMNAKAT6AGLSFFAR4PLOD2
SCHEMBL6623169 0.82 NOTUM (0.54) LMNAKAT6APLOD2PLOD3PLOD1
SCHEMBL5929327 0.82 KAT6A (0.56) LMNAKAT6AGLSFFAR4ERCC1
SCHEMBL6163346 0.81 KAT6A (0.47) LMNAKAT6AGLSPLOD2PLOD3
SCHEMBL31173853 0.80 LMNA (0.56) LMNAKAT6AERCC1ERCC4ALDH1A1
SCHEMBL2161445 0.80 LMNA (0.56) LMNAKAT6AERCC1ERCC4ALDH1A1
SCHEMBL16220632 0.79 KAT6A (0.54) LMNAKAT6AERCC1ERCC4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1268626-C Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I HOFFMANN LA ROCHE (CH) 2006-08-09 CN disclosed
CN-1522252-A Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I - 2004-08-18 CN disclosed
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