SCHEMBL9070764

SCHEMBL9070764

O=C/C1=N/CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.42
NOS1 P29475 5/20 0.42
NOS2 P35228 5/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.32
INMT O95050 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CYP2D6 P10635 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
SCHEMBL28766988 1.00
SCHEMBL14548854 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL12422789 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL368667 0.90
SCHEMBL16925311 0.75 NOS1 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL18531661 0.75 NOS1 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL23435265 0.71 NOS3 (0.39) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL22102659 0.71 NOS3 (0.39) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL18306439 0.71 NOS3 (0.39) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL23333999 0.71 NOS3 (0.39) NOS3NOS1NOS2KMT2AMEN1

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
WO-2009128481-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-22 WO disclosed