SCHEMBL5603217

SCHEMBL5603217

CCCCCCc1nn[nH]c1CCCCCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HCAR2 Q8TDS4 4/20 0.38
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
KCNH2 Q12809 1/20 0.34
GAA P10253 2/20 0.33
S1PR1 P21453 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HCAR3 P49019 1/20 0.33

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
SCHEMBL11318964 1.00 MEN1 (0.40) MEN1KMT2AHCAR2ALDH1A1PKM
SCHEMBL94372 1.00 MEN1 (0.40) MEN1KMT2AHCAR2ALDH1A1PKM
SCHEMBL460418 0.98 MEN1 (0.41) MEN1KMT2AHCAR2ALDH1A1PKM
SCHEMBL17485813 0.94 MEN1 (0.39) MEN1KMT2AHCAR2ALDH1A1PKM
SCHEMBL5276698 0.92 HCAR2 (0.44) MEN1KMT2AHCAR2ALDH1A1GAA
SCHEMBL4364997 0.90 MEN1 (0.39) MEN1KMT2AHCAR2ALDH1A1PKM
SCHEMBL19501783 0.88 HCAR2 (0.38) MEN1KMT2AHCAR2ALDH1A1PKM
SCHEMBL931958 0.87 HCAR2 (0.36) MEN1KMT2AHCAR2ALDH1A1PKM
SCHEMBL5279145 0.86 HCAR2 (0.42) MEN1KMT2AHCAR2GAATSHR
SCHEMBL5274721 0.86 HCAR2 (0.39) MEN1KMT2AHCAR2ALDH1A1GAA

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