SCHEMBL22382004

SCHEMBL22382004

CCc1cnc2nc(CC)cnc2n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
MAPKAPK2 P49137 1/20 0.32
NOS1 P29475 2/20 0.31
PDE10A Q9Y233 1/20 0.31
KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL14024445 0.90 NOS3 (0.30) NOS3NOS2
SCHEMBL830188 0.78 NOS3 (0.33) NOS3NOS2NOS1
SCHEMBL19337328 0.78
SCHEMBL21388594 0.76 KDM4E (0.40)
SCHEMBL10077305 0.76 PIK3CG (0.34) PDE10A
SCHEMBL162396 0.76 NOS3 (0.35) NOS3NOS2NOS1PDE10A
SCHEMBL251411 0.76 MAPKAPK2 (0.36) NOS3NOS2MAPKAPK2PDE10A
SCHEMBL293165 0.76 MAPKAPK2 (0.33) MAPKAPK2
SCHEMBL19153740 0.75
SCHEMBL14135211 0.75 PDE10A (0.41) PDE10A

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-10763438-B2 n-Doped electrically conductive polymeric material NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-09-01 US disclosed