SCHEMBL6016978

SCHEMBL6016978

COc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)CCCNc3cccc(C)c3)n2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 4/20 0.48
RAB9A P51151 2/20 0.42
GALR2 O43603 3/20 0.42
GALR1 P47211 3/20 0.42
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSV O60911 1/20 0.39
PLAT P00750 1/20 0.39
CTSL P07711 1/20 0.39
CTSH P09668 1/20 0.39
CASP14 P31944 1/20 0.39
CASP6 P55212 1/20 0.39
CTSZ Q9UBR2 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL4829657 0.87 BCL6 (0.51) BCL6RAB9AGALR2GALR1STK17B
SCHEMBL4832789 0.85 BCL6 (0.53) BCL6RAB9AGALR2GALR1STK17B
SCHEMBL6016976 0.84 BCL6 (0.50) BCL6RAB9AGALR2GALR1NPC1
SCHEMBL4836855 0.83 BCL6 (0.54) BCL6RAB9ASTK17BSTK17ANPC1
SCHEMBL6016979 0.81 BCL6 (0.46) BCL6RAB9AGALR2GALR1NPC1
SCHEMBL14300176 0.80 ROCK1 (0.44) BCL6RAB9AGALR2GALR1SMN1; SMN2
SCHEMBL4836573 0.78 BCL6 (0.68) BCL6RAB9AGALR2GALR1NPC1
SCHEMBL5033896 0.77 BCL6 (0.57) BCL6RAB9AGALR2GALR1STK17B
SCHEMBL14268318 0.77 BCL6 (0.63) BCL6RAB9AGALR2GALR1NPC1
SCHEMBL4839482 0.76 BCL6 (0.60) BCL6RAB9AGALR2GALR1NPC1

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-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US claimed