SCHEMBL5601427

SCHEMBL5601427

CCCCCCCCC(C)C1=Cc2ccccc2[N]1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CSNK1E P49674 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
PTPN1 P18031 1/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
SLC2A1 P11166 1/20 0.31
NR5A2 O00482 1/20 0.30
NR5A1 Q13285 1/20 0.30
NR1I2 O75469 1/20 0.30
CNR2 P34972 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
SCHEMBL5603027 1.00 ALDH1A1 (0.33) ALDH1A1GPR84CSNK1EMEN1KMT2A
SCHEMBL5601930 1.00 ALDH1A1 (0.33) ALDH1A1GPR84CSNK1EMEN1KMT2A
SCHEMBL5600377 1.00 ALDH1A1 (0.33) ALDH1A1GPR84CSNK1EMEN1KMT2A
SCHEMBL5602341 1.00 ALDH1A1 (0.33) ALDH1A1GPR84CSNK1EMEN1KMT2A
SCHEMBL5601423 1.00 ALDH1A1 (0.33) ALDH1A1GPR84CSNK1EMEN1KMT2A
SCHEMBL5602827 0.98 ALDH1A1 (0.31) ALDH1A1GPR84CSNK1EMEN1KMT2A
SCHEMBL5603674 0.94 POLB (0.31)
SCHEMBL5600999 0.87 SMN1; SMN2 (0.33)
SCHEMBL5600661 0.80 TSHR (0.37)
SCHEMBL5602680 0.73 CDC25A (0.33)

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