SCHEMBL4379996

SCHEMBL4379996

CCCCCCCCCCCCN1C=CN(C)C1C1N(C)C=CN1CCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
GUSB P08236 2/20 0.34
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TBXAS1 P24557 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
HTT P42858 3/20 0.33
DNM1 Q05193 3/20 0.33
GALR3 O60755 2/20 0.33
POLB P06746 2/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL15535407 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL15536440 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL3112968 0.98 PTGS1 (0.35) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL15535138 0.91 PTGS1 (0.32) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL16286689 0.83 TP53 (0.31)
SCHEMBL17139700 0.81
SCHEMBL2672875 0.81 EBP (0.37) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL5304234 0.81 EBP (0.37) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL4070942 0.81 EBP (0.37) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL372254 0.81 EBP (0.37) PTGS1PTGS2MGLLFAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009024312-A2 METHOD FOR THE PRODUCTION AND STABILIZATION OF FUNCTIONAL METAL NANOPARTICLES IN IONIC LIQUIDS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-02-26 WO disclosed