SCHEMBL5603577

SCHEMBL5603577

CCCCCCCC(C)C1=Nc2ccccc2[N]1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
KCNH2 Q12809 1/20 0.33
CNR2 P34972 1/20 0.31
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 1/20 0.31
ADA P00813 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL5603832 1.00 CSNK1E (0.35) CSNK1EALDH1A1GPR84KMT2AMEN1
SCHEMBL5602885 1.00 CSNK1E (0.35) CSNK1EALDH1A1GPR84KMT2AMEN1
SCHEMBL5602687 1.00 CSNK1E (0.35) CSNK1EALDH1A1GPR84KMT2AMEN1
SCHEMBL5601440 1.00 CSNK1E (0.35) CSNK1EALDH1A1GPR84KMT2AMEN1
SCHEMBL5601434 1.00 CSNK1E (0.35) CSNK1EALDH1A1GPR84KMT2AMEN1
SCHEMBL5601257 0.98 ALDH1A1 (0.33) CSNK1EALDH1A1GPR84KMT2AMEN1
SCHEMBL5600756 0.93 POLB (0.33) CNR2
SCHEMBL5601009 0.86 SMN1; SMN2 (0.34)
SCHEMBL5600868 0.72 MAPT (0.32) ALDH1A1KDM4E
SCHEMBL5601423 0.72 ALDH1A1 (0.33) CSNK1EALDH1A1GPR84KMT2AMEN1

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