SCHEMBL5600516

SCHEMBL5600516

CCCCCCc1nn[nH]c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
KCNH2 Q12809 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
S1PR1 P21453 1/20 0.33
HCAR3 P49019 1/20 0.33
TYMP P19971 2/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL5601887 1.00 MEN1 (0.36) MEN1KMT2AALDH1A1PKMHPGD
SCHEMBL5603213 1.00 MEN1 (0.36) MEN1KMT2AALDH1A1PKMHPGD
SCHEMBL5603360 1.00 MEN1 (0.36) MEN1KMT2AALDH1A1PKMHPGD
SCHEMBL5601383 1.00 MEN1 (0.36) MEN1KMT2AALDH1A1PKMHPGD
SCHEMBL5601763 1.00 MEN1 (0.36) MEN1KMT2AALDH1A1PKMHPGD
SCHEMBL5600267 1.00 MEN1 (0.36) MEN1KMT2AALDH1A1PKMHPGD
SCHEMBL5600403 0.98 MEN1 (0.37) MEN1KMT2AALDH1A1PKMHPGD
SCHEMBL5282116 0.92 HCAR2 (0.38) MEN1KMT2AALDH1A1HCAR2HCAR3
SCHEMBL5277025 0.83
SCHEMBL11318964 0.80 MEN1 (0.40) MEN1KMT2AALDH1A1PKMHPGD

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