SCHEMBL7929256

SCHEMBL7929256

C1=NN=CC2Nc3ccccc3CC12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
AR P10275 1/20 0.36
BRD4 O60885 4/20 0.34
CREBBP Q92793 3/20 0.34
EP300 Q09472 1/20 0.32
PLAU P00749 1/20 0.32
TSHR P16473 1/20 0.31
IDO1 P14902 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NOS2 P35228 1/20 0.30
HTR5A P47898 1/20 0.30
PRCP P42785 1/20 0.30

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
SCHEMBL2024487 0.73 MAPT (0.43) GAAMAPTARBRD4CREBBP
SCHEMBL30059612 0.68 MAPT (0.53) GAAMAPTARBRD4CREBBP
SCHEMBL22341668 0.67 GAA (0.48) GAAMAPTARBRD4CREBBP
SCHEMBL4978935 0.66 PRCP (0.55) GAAMAPTARBRD4KDM4E
SCHEMBL29779937 0.66 PRCP (0.55) GAAMAPTARBRD4KDM4E
SCHEMBL18068338 0.66 GAA (0.40) GAAMAPTARBRD4CREBBP
SCHEMBL1736809 0.65 CREBBP (0.55) GAAMAPTARBRD4CREBBP
SCHEMBL2781001 0.65 MAPT (0.55) GAAMAPTARBRD4CREBBP
SCHEMBL11207070 0.65 MAPT (0.50) GAAMAPTARBRD4CREBBP
SCHEMBL6954505 0.65 MAPT (0.50) GAAMAPTARBRD4CREBBP

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
US-6232313-B1 TREATING STROKE OR EPILEPTIC CONVULSIONS ASSOCIATED WITH EXCESSIVE CALCIUM INFLUX IN THE BRAIN CAUSED BY EXCITATORY AMINO ACIDS ZENECA LIMITED (GB) 2001-05-15 US disclosed
US-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 US disclosed