SCHEMBL5604150

SCHEMBL5604150

CCCCC1=N[N]C=C1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL5601946 0.92 KCNH2 (0.38) HCAR2
SCHEMBL5600164 0.92 KCNH2 (0.38) HCAR2
SCHEMBL5603255 0.92 KCNH2 (0.38) HCAR2
SCHEMBL5600793 0.92 KCNH2 (0.38) HCAR2
SCHEMBL5601985 0.78 HCAR3 (0.33) NOS2HPGDHRH3HCAR3HCAR2
SCHEMBL4850839 0.77 HCAR3 (0.33) NOS2HRH3HCAR3HCAR2
SCHEMBL28016492 0.72 NOS2 (0.32) NOS2HRH3
SCHEMBL5601594 0.71 ACHE (0.39) HCAR3HCAR2
SCHEMBL5004468 0.62
SCHEMBL16911240 0.62

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