SCHEMBL12876243

SCHEMBL12876243

Cc1ccc(C(=O)NCCC[N+](C)(C(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MMP13 P45452 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL12876249 0.84 L3MBTL1 (0.64) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL9489979 0.79 L3MBTL1 (0.86) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL13238894 0.78 LMNA (0.64) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL11220601 0.77 LMNA (0.85) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL6207746 0.76 L3MBTL1 (0.70) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL19133523 0.76 LMNA (0.71) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL178367 0.76 L3MBTL1 (0.87) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL14614752 0.74 L3MBTL1 (0.68) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL13577911 0.74 L3MBTL1 (0.97) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL14679165 0.74 L3MBTL1 (0.73) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA

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-20110033203-A1 TONER, METHOD FOR MANUFACTURING THE TONER, DEVELOPER INCLUDING THE TONER, CONTAINER CONTAINING THE TONER, AND IMAGE FORMING METHOD AND APPARATUS AND PROCESS CARTRIDGE USING THE TONER WATANABE YOHICHIROH 2011-02-10 US disclosed