SCHEMBL9006300

SCHEMBL9006300

ClC1C2=CN=NC2=Nc2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.31
NOS3 P29474 2/20 0.31
NOS2 P35228 2/20 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
SCHEMBL11244859 0.62 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL7469451 0.61 NOS1 (0.40) NOS1NOS3NOS2
SCHEMBL30186948 0.61 IDO1 (0.33)
SCHEMBL5542352 0.58 S100A4 (0.33) NOS1NOS3NOS2
SCHEMBL29941290 0.57 MEN1 (0.40)
SCHEMBL14132252 0.56 NOS1 (0.37) NOS1NOS3NOS2
SCHEMBL11010772 0.55 GPR3 (0.32)
SCHEMBL17770545 0.55 NOS1 (0.34) NOS1NOS3NOS2
SCHEMBL13945520 0.55 NOS1 (0.37) NOS1NOS3NOS2
SCHEMBL12352022 0.55 NOS1 (0.37) NOS1NOS3NOS2

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-5506236-A TREATING HERPES VIRUS INFECTIONS SCHERING CORPORATION 1996-04-09 US disclosed