SCHEMBL8380417

SCHEMBL8380417

CCCCCCC(O)Nc1nc(N)nc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.38
TLR8 Q9NR97 3/20 0.37
CYP2D6 P10635 2/20 0.36
LMNA P02545 2/20 0.36
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CETP P11597 1/20 0.36
HTT P42858 1/20 0.36
UBE2N P61088 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL1415239 0.93 TLR8 (0.39) TLR8TLR7KCNH2
SCHEMBL8027997 0.86 KCNH2 (0.35) TLR8CYP2D6TLR7KCNH2
SCHEMBL11576770 0.83 TLR8 (0.41) TLR8TLR7KCNH2
SCHEMBL8201839 0.78 LMNA (0.31) LMNA
SCHEMBL6691988 0.78 TLR8 (0.40) TLR8TLR7KCNH2
SCHEMBL27642131 0.76 TSHR (0.35) TLR8CYP2D6LMNAHTTTLR7
SCHEMBL6700072 0.74 HTR7 (0.33) KDM4ECYP1A2HTT
SCHEMBL8377084 0.74 TLR8 (0.38) TLR8TLR7KCNH2
SCHEMBL3809510 0.74 TLR8 (0.37) TLR8TLR7KCNH2
Methoxymethane SCHEMBL27642128 0.74 NPC1 (0.31) CYP2D6TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808346-B1 POLYMERIC FLOW MODIFIERS MONSANTO CO (US) 1999-04-07 EP disclosed
EP-0808346-A2 POLYMERIC FLOW MODIFIERS MONSANTO COMPANY (US) 1997-11-26 EP disclosed
US-5621059-A ACRYLIC ACID, ALKYL ACRYLATE; WATERBORNE COATING MATERIAL ADDITIVES MONSANTO COMPANY (US) 1997-04-15 US disclosed
WO-1996024641-A2 POLYMERIC FLOW MODIFIERS MONSANTO COMPANY (US) 1996-08-15 WO disclosed
US-5262482-A Protective coatings with improved stain resistance MORTON COATINGS, INC. (US) 1993-11-16 US disclosed