SCHEMBL5603901

SCHEMBL5603901

CCCCc1ccc2c(c1CCCC)N=N[N]2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.35
CTRC Q99895 1/20 0.33
TLR8 Q9NR97 1/20 0.30
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL5603987 0.95 TYR (0.38) TYRTLR8HTTMEN1TP53
SCHEMBL5602788 0.94 TYR (0.41) TYRTLR8HTTMEN1TP53
SCHEMBL5602884 0.86 KDM4E (0.34) HPGD
SCHEMBL5603063 0.85 NOS2 (0.32) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5602438 0.80 KCNH2 (0.33) TLR8TP53CYP3A4TDP1
SCHEMBL5601355 0.79 KCNH2 (0.36) TYRTLR8TP53CYP3A4ALOX5
SCHEMBL5601285 0.79 KCNH2 (0.36) TYRTLR8TP53CYP3A4ALOX5
SCHEMBL5602173 0.79 KCNH2 (0.36) TYRTLR8TP53CYP3A4ALOX5
SCHEMBL5600627 0.79 KCNH2 (0.36) TYRTLR8TP53CYP3A4ALOX5
SCHEMBL5602256 0.79 KCNH2 (0.36) TYRTLR8TP53CYP3A4ALOX5

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