SCHEMBL5601044

SCHEMBL5601044

CCCCCCCCc1cccc2c1[N]c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
KCNH2 Q12809 2/20 0.42
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
GPR3 P46089 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL5603003 1.00 LIPG (0.46) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL5602383 1.00 LIPG (0.46) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL5601371 1.00 LIPG (0.46) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL5603414 1.00 LIPG (0.46) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL5604095 1.00 LIPG (0.46) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL5602722 1.00 LIPG (0.46) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL5602844 0.98 LIPG (0.44) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL5603131 0.94 NR1H2 (0.38) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL5602181 0.87 PPARA (0.33) NR1H2NR1H3PPARAELANECTSG
SCHEMBL5600551 0.84 GPR3 (0.40) LIPGNR1H2NR1H3KCNH2GPR3

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 4 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
JP-2004315495-A NEW ARYLAMINE DERIVATIVE HAVING FLUORENE SKELETON, SYNTHETIC INTERMEDIATE OF THE SAME, METHOD FOR PRODUCING THEM AND ORGANIC EL ELEMENT TOSOH CORP 2004-11-11 JP disclosed