SCHEMBL10028744

SCHEMBL10028744

CCCCCCCCCCn1c(C)[n+](CCCCCCCCCC)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
TLR8 Q9NR97 2/20 0.47
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL459038 1.00 PTPN1 (0.48) PTPN1TLR8TP53SMN1; SMN2MAPT
Bromide SCHEMBL460627 0.99 PTPN1 (0.47) PTPN1TLR8TP53SMN1; SMN2MAPT
Bromide SCHEMBL459711 0.99 PTPN1 (0.47) PTPN1TLR8TP53SMN1; SMN2MAPT
SCHEMBL25387252 0.91 PTPN1 (0.54) PTPN1TLR8SMN1; SMN2TDP1HTT
Iodide SCHEMBL25434164 0.90 PTPN1 (0.56) PTPN1TLR8SMN1; SMN2TDP1KDM4E
Water SCHEMBL25434773 0.90 PTPN1 (0.52) PTPN1TLR8SMN1; SMN2TDP1HTT
SCHEMBL10028735 0.82 TLR8 (0.44) PTPN1TLR8TP53SMN1; SMN2MAPT
SCHEMBL10028679 0.82 TLR8 (0.44) PTPN1TLR8TP53SMN1; SMN2MAPT
SCHEMBL25384736 0.81 PTPN1 (0.42) PTPN1TP53SMN1; SMN2MAPTTDP1
SCHEMBL22189012 0.79 NPSR1 (0.43) PTPN1TLR8MAPTHTTKDM4E

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-2012011793-A1 SURFACTANTS FOR THE MODIFICATION OF CLAY, METHOD OF SYNTHESIS AND THE NANOCOMPOSITES PRODUCED MOROCCAN FOUNDATION FOR ADVANCED SCIENCE, INNOVATION & RESEARCH (MASCIR) (MA) 2012-01-26 WO disclosed