SCHEMBL9761830

SCHEMBL9761830

CC1(C)CON(Cc2ccncn2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
CYP1B1 Q16678 1/20 0.35
GRM4 Q14833 1/20 0.35
NAMPT P43490 2/20 0.34
GRIN1 Q05586 5/20 0.33
GRIN2B Q13224 5/20 0.33
RIPK3 Q9Y572 1/20 0.33
MKNK1 Q9BUB5 4/20 0.33
MKNK2 Q9HBH9 2/20 0.33
EIF4E P06730 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
PDE10A Q9Y233 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL9761664 0.82 BRD4 (0.47) BRD4
SCHEMBL9762213 0.80 BRD4 (0.44) BRD4
SCHEMBL9762147 0.75 BRD4 (0.43) BRD4NAMPTGRIN1GRIN2B
SCHEMBL9760799 0.74 BRD4 (0.37) BRD4CYP1B1
SCHEMBL9761111 0.73 CYP2C9 (0.38) BRD4OPRM1
SCHEMBL9762460 0.72 RIPK3 (0.37) CYP1B1GRIN1GRIN2BRIPK3LOXL2
SCHEMBL9762493 0.70 BRD4 (0.40) BRD4LOXL2
SCHEMBL7613547 0.70 ELANE (0.50) BRD4
SCHEMBL9761584 0.70 BRD4 (0.36) BRD4PDE10A
SCHEMBL2352063 0.69 BRD4 (0.42) BRD4BACE1

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-5066665-A Cognition activators; alzheimer*s disease WARNER-LAMBERT CO. (US) 1991-11-19 US disclosed