SCHEMBL5601845

SCHEMBL5601845

CCCCCCC(C)C1=N[N]c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
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
SOAT1 P35610 10/20 0.32
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL5600735 1.00 PTPN1 (0.34) PTPN1ALDH1A1GPR84CSNK1EMEN1
SCHEMBL5603139 1.00 PTPN1 (0.34) PTPN1ALDH1A1GPR84CSNK1EMEN1
SCHEMBL5601240 1.00 PTPN1 (0.34) PTPN1ALDH1A1GPR84CSNK1EMEN1
SCHEMBL5599910 1.00 PTPN1 (0.34) PTPN1ALDH1A1GPR84CSNK1EMEN1
SCHEMBL5602742 1.00 PTPN1 (0.34) PTPN1ALDH1A1GPR84CSNK1EMEN1
SCHEMBL5599719 0.98 PTPN1 (0.32) PTPN1ALDH1A1GPR84CSNK1EMEN1
SCHEMBL5603670 0.94 POLB (0.31) ALDH1A1
SCHEMBL5600941 0.80 TSHR (0.37) MEN1KMT2A
SCHEMBL5601126 0.71 KCNH2 (0.42) PTPN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL5601353 0.71 KCNH2 (0.42) PTPN1ALDH1A1MEN1KMT2ANPC1

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