SCHEMBL5600946

SCHEMBL5600946

CCCC1=N[N]c2cccc(C)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.33
HSP90AB1 P08238 1/20 0.32
TLR8 Q9NR97 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 2/20 0.30
SCN4A P35499 3/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
KCNK3 O14649 1/20 0.30
CACNA1F O60840 1/20 0.30
KCNK2 O95069 1/20 0.30
GBA1 P04062 1/20 0.30
MAOA P21397 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
SCN1A P35498 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
SCHEMBL5602421 0.90 TLR8 (0.35) NOS2TLR8LMNAKCNH2
SCHEMBL5603673 0.88 KCNH2 (0.40) TLR8LMNAHTR2AKCNH2
SCHEMBL5601247 0.87 KCNH2 (0.42) TLR8HTR2AKCNH2
SCHEMBL5599722 0.87 KCNH2 (0.42) TLR8HTR2AKCNH2
SCHEMBL5603145 0.87 KCNH2 (0.42) TLR8HTR2AKCNH2
SCHEMBL5599913 0.87 KCNH2 (0.42) TLR8HTR2AKCNH2
SCHEMBL5600740 0.87 KCNH2 (0.42) TLR8HTR2AKCNH2
SCHEMBL5602752 0.87 KCNH2 (0.42) TLR8HTR2AKCNH2
SCHEMBL5601849 0.87 KCNH2 (0.42) TLR8HTR2AKCNH2
SCHEMBL5603761 0.85 ALDH1A1 (0.33) ALDH1A1TSHRSCN4ALMNACYP1A2

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