SCHEMBL4070988

SCHEMBL4070988

CCCCCCCCCCCCCCCCCC[n+]1ccccc1C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.81
NPC1 O15118 6/20 0.81
RAB9A P51151 6/20 0.81
POLB P06746 1/20 0.81
HTT P42858 7/20 0.57
KMT2A Q03164 6/20 0.57
KDM4E B2RXH2 5/20 0.57
MEN1 O00255 5/20 0.57
NPSR1 Q6W5P4 3/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 3/20 0.57
RAD52 P43351 3/20 0.57
HSP90AA1 P07900 2/20 0.57
RGS12 O14924 1/20 0.57
USP2 O75604 1/20 0.57
THRB P10828 1/20 0.57
MCL1 Q07820 1/20 0.57
ALDH1A1 P00352 4/20 0.50
GAA P10253 4/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL29561275 1.00 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL29561014 1.00 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL2864666 1.00 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL627732 1.00 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL627771 1.00 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL2872475 1.00 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL627235 1.00 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL2867042 1.00 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL628536 1.00 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL29404607 1.00 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed
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