SCHEMBL9580901

SCHEMBL9580901

CCCC(C)Nc1nc(N)nc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.47
TLR7 Q9NYK1 3/20 0.47
CYP2D6 P10635 2/20 0.40
IDH1 O75874 1/20 0.36
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCAR3 P49019 1/20 0.34
KCNH2 Q12809 1/20 0.33
HTR7 P34969 4/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
HTR2C P28335 1/20 0.33
HTR6 P50406 1/20 0.33
ELANE P08246 1/20 0.33
DRD1 P21728 1/20 0.32

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
Formaldehyde SCHEMBL14735980 0.94 TLR8 (0.43) TLR8TLR7CYP2D6IDH1MEN1
SCHEMBL8377084 0.89 TLR8 (0.38) TLR8TLR7KCNH2HTR7KCNH3
SCHEMBL6262275 0.84 TLR8 (0.39) TLR8TLR7CYP2D6IDH1MEN1
SCHEMBL10059800 0.83 L3MBTL1 (0.47) MEN1CYP1A2KMT2ACYP2C19TP53
SCHEMBL6231272 0.82 KCNH2 (0.43) TLR8TLR7CYP2D6KCNH2DRD1
SCHEMBL8027997 0.78 KCNH2 (0.35) TLR8TLR7CYP2D6KCNH2HTR7
SCHEMBL4164438 0.78 KCNH3 (0.42) IDH1KMT2AHTR7ADRA1DADRA1A
SCHEMBL25996876 0.78 ALDH1A1 (0.35) IDH1MEN1CYP1A2KMT2ACYP2C19
SCHEMBL10747977 0.76 CYP2D6 (0.40) TLR8TLR7CYP2D6IDH1MEN1
SCHEMBL8426213 0.76 HTR7 (0.38) IDH1HTR7ADRA1DADRA1AADRA1B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105358602-B modified resin and resin composition 旭化成株式会社 2018-12-04 CN disclosed
CN-107629183-A Modified resin and resin combination 旭化成株式会社 2018-01-26 CN disclosed
CN-102395635-B Multilayer coating, its preparation and use for bonding glass sheets BASF COATINGS GMBH 2014-07-30 CN disclosed
EP-0243120-B1 TOUGH FLEXIBLE POLYMER BLENDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-20 EP disclosed
US-5003004-A Star Polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-26 US disclosed
EP-0345340-A1 PHOTOIMAGEABLE COMPOSITIONS. THIOKOL MORTON INC (US) 1989-12-13 EP disclosed
WO-1989005476-A1 PHOTOIMAGEABLE COMPOSITIONS MORTON THIOKOL, INC. (US) 1989-06-15 WO disclosed
EP-0243120-A2 Tough flexible polymer blends E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-10-28 EP disclosed