SCHEMBL9762377

SCHEMBL9762377

CC1(C)CON(Cc2cscn2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
PARG Q86W56 1/20 0.35
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
KDM4C Q9H3R0 1/20 0.32
KCNH2 Q12809 2/20 0.31
DRD2 P14416 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL9761743 0.77 BRD4 (0.38) BRD4PARG
SCHEMBL9761664 0.75 BRD4 (0.47) BRD4SCN9AALDH1A1
SCHEMBL9761111 0.75 CYP2C9 (0.38) BRD4ALDH1A1OPRM1
SCHEMBL9761584 0.72 BRD4 (0.36) BRD4PARGSLC6A3
SCHEMBL9762147 0.71 BRD4 (0.43) BRD4
SCHEMBL9760799 0.70 BRD4 (0.37) BRD4
SCHEMBL7613547 0.69 ELANE (0.50) BRD4ALDH1A1
SCHEMBL2352063 0.68 BRD4 (0.42) BRD4ALDH1A1
SCHEMBL9762586 0.68 PARG (0.37) BRD4PARGDRD2OPRM1
SCHEMBL10460973 0.67 BRD4 (0.39) BRD4ALDH1A1

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