SCHEMBL11280972

SCHEMBL11280972

CCCCCCCCCCCCNc1nccc(NCCCO)n1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 8/20 0.71
MERTK Q12866 4/20 0.56
NUDT1 P36639 1/20 0.56
TLR8 Q9NR97 1/20 0.52
MAPK8 P45983 1/20 0.50
FLT3 P36888 3/20 0.48
TYRO3 Q06418 3/20 0.48
GAS6 Q14393 3/20 0.48
KMT2A Q03164 1/20 0.48
AXL P30530 2/20 0.47
HRH4 Q9H3N8 3/20 0.45
HRH3 Q9Y5N1 1/20 0.44
KDM4D Q6B0I6 1/20 0.43

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
SCHEMBL11289519 0.94 DNM2 (0.71) DNM2MERTKNUDT1TLR8MAPK8
SCHEMBL1401613 0.91 DNM2 (0.78) DNM2MERTKNUDT1TLR8MAPK8
SCHEMBL19477219 0.86 DNM2 (0.71) DNM2MERTKNUDT1TLR8MAPK8
SCHEMBL28661902 0.80 DNM2 (0.64) DNM2MERTKNUDT1TLR8MAPK8
SCHEMBL19476566 0.80 DNM2 (0.80) DNM2MERTKTLR8MAPK8HRH4
SCHEMBL19477221 0.80 DNM2 (0.80) DNM2MERTKTLR8MAPK8HRH4
SCHEMBL19477222 0.79 TLR8 (0.63) DNM2MERTKNUDT1TLR8MAPK8
SCHEMBL19476564 0.79 TLR8 (0.63) DNM2MERTKNUDT1TLR8MAPK8
SCHEMBL11090421 0.79 DNM2 (0.58) DNM2MERTKTLR8MAPK8FLT3
SCHEMBL19706932 0.79 DNM2 (0.62) DNM2MERTKTLR8MAPK8HRH4

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
US-4339453-A BACTERICIDES, FUNGICIDES MERCK & CO., INC. (US) 1982-07-13 US disclosed