SCHEMBL5604205

SCHEMBL5604205

c1cc2c(c(C3CCCCCCCC3)c1)N=N[N]2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.39
CEL P19835 2/20 0.33
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP11B2 P19099 1/20 0.33
PTGS2 P35354 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
TDO2 P48775 1/20 0.32
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
FEN1 P39748 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL5601460 1.00 NOS1 (0.39) NOS1CELNOS3NOS2PDCD1
SCHEMBL5601379 1.00 NOS1 (0.39) NOS1CELNOS3NOS2PDCD1
SCHEMBL5600295 1.00 NOS1 (0.39) NOS1CELNOS3NOS2PDCD1
SCHEMBL5602111 1.00 NOS1 (0.39) NOS1CELNOS3NOS2PDCD1
SCHEMBL5604087 1.00 NOS1 (0.39) NOS1CELNOS3NOS2PDCD1
SCHEMBL5602255 1.00 NOS1 (0.39) NOS1CELNOS3NOS2PDCD1
SCHEMBL5600816 0.98 NOS1 (0.38) NOS1CELNOS3NOS2PDCD1
SCHEMBL5600567 0.95 NOS1 (0.38) NOS1NOS3NOS2
SCHEMBL5600028 0.91 PDK2 (0.33) NOS1NOS3NOS2
SCHEMBL5602559 0.71 PTGS2 (0.40) NOS1CELNOS3NOS2PDCD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed