SCHEMBL9761584

SCHEMBL9761584

CC1(C)CON(Cc2cncs2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
PARG Q86W56 3/20 0.35
ARG1 P05089 1/20 0.32
SLC6A3 Q01959 3/20 0.32
MAP2K1 Q02750 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
XIAP P98170 1/20 0.31
MMP13 P45452 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE10A Q9Y233 2/20 0.30
PIM1 P11309 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
SCHEMBL9760799 0.77 BRD4 (0.37) BRD4
SCHEMBL9761609 0.77 CHRM5 (0.41) BRD4PARGCYP1A2CYP3A4CYP2C9
SCHEMBL9762586 0.75 PARG (0.37) BRD4PARGXIAP
SCHEMBL9762213 0.74 BRD4 (0.44) BRD4CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9762539 0.72 CHRM2 (0.36) PARGARG1SLC6A3XIAPTDP1
SCHEMBL9762493 0.71 BRD4 (0.40) BRD4MAP2K1
SCHEMBL7613547 0.70 ELANE (0.50) BRD4
SCHEMBL2352063 0.69 BRD4 (0.42) BRD4
SCHEMBL9761743 0.69 BRD4 (0.38) BRD4PARG
SCHEMBL10460973 0.68 BRD4 (0.39) BRD4MAP2K1

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