SCHEMBL7879959

SCHEMBL7879959

Cc1cc2ccc(N(C)C)cc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.56
DAO P14920 2/20 0.44
DDO Q99489 1/20 0.44
KDM4E B2RXH2 4/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ALDH1A1 P00352 6/20 0.42
AR P10275 2/20 0.41
MAPT P10636 3/20 0.40
TERT O14746 1/20 0.40
APP P05067 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL20145907 0.78 TERT (0.45) KDM4EPDE3BPDE3AALDH1A1AR
SCHEMBL15478601 0.78 DAO (0.68) BRD4DAODDOKDM4EALDH1A1
SCHEMBL31273615 0.78 SLC16A3 (0.54) DAODDOKDM4EPDE3BPDE3A
SCHEMBL4553044 0.77 AR (0.51) KDM4EPDE3BPDE3AALDH1A1AR
SCHEMBL1709827 0.75 BRD4 (0.59) BRD4DAODDOKDM4EALDH1A1
SCHEMBL1438376 0.75 BRD4 (0.59) BRD4DAODDOKDM4EALDH1A1
SCHEMBL29892803 0.75 BRD4 (0.59) BRD4DAODDOKDM4EALDH1A1
SCHEMBL12970589 0.75 DAO (0.64) BRD4DAODDOKDM4EGRIN2D
SCHEMBL1038241 0.75 BRD4 (0.59) BRD4DAODDOKDM4EALDH1A1
SCHEMBL4388117 0.75 DAO (0.64) BRD4DAODDOALDH1A1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329546-B1 FOR INVESTIGATING THE MECHANISM OF ACTION OF A PHYSIOLOGICALLY ACTIVE AMINO ACID COMPOUND SUCH AS GLUTAMIC ACID IN AN ORGANISM LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 2001-12-11 US disclosed