SCHEMBL6890034

SCHEMBL6890034

N=C(N)[N]CC[N]C(=N)N

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP1A2 P05177 3/20 0.37
NOS1 P29475 4/20 0.33
NOS3 P29474 4/20 0.33
NOS2 P35228 4/20 0.33
TSHR P16473 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
MAPT P10636 2/20 0.32
BLM P54132 1/20 0.32
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
APEX1 P27695 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL1793086 0.81
SCHEMBL1792757 0.76
SCHEMBL9059992 0.74
SCHEMBL1795312 0.73 MEN1 (0.54) CYP1A2NOS1NOS3NOS2TSHR
SCHEMBL1796350 0.73 MEN1 (0.54) CYP1A2NOS1NOS3NOS2TSHR
SCHEMBL1795109 0.73 MEN1 (0.54) CYP1A2NOS1NOS3NOS2TSHR
SCHEMBL350123 0.72
SCHEMBL722863 0.61
SCHEMBL2981077 0.61
SCHEMBL374101 0.61

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-6810575-B1 COMPRISES SUBSTRATE HAVING ON UPPER SURFACE A PLURALITY OF METAL OXIDE NEEDLES EXTENDING UPWARDLY OF SURFACE WITH THEIR CENTRAL AXES PARALLEL WITH EACH OTHER; NEEDLES HAVE SPECIFIC AVERAGE CIRCLE-BASED DIAMETER, ASPECT RATIO; CAPACITOR ASAHI KASAI CHEMICALS CORPORATION (JP) 2004-11-02 US disclosed