SCHEMBL4879694

SCHEMBL4879694

O=C(Nc1ccc2c(c1)CN(C(=O)C(Cc1ccc(Br)s1)Nc1ccccc1)C2)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.48
TMPRSS2 O15393 1/20 0.45
NAMPT P43490 7/20 0.44
ACHE P22303 3/20 0.42
HSD17B3 P37058 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 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
SCHEMBL4879687 1.00 L3MBTL3 (0.48) L3MBTL3TMPRSS2NAMPTACHEHSD17B3
SCHEMBL4775592 0.87 HDAC8 (0.49) L3MBTL3TMPRSS2NAMPTACHEHSD17B3
SCHEMBL4909738 0.87 HDAC8 (0.49) L3MBTL3TMPRSS2NAMPTACHEHSD17B3
SCHEMBL4795400 0.70 HSD17B3 (0.67) L3MBTL3TMPRSS2NAMPTACHEHSD17B3
SCHEMBL4792576 0.69 HDAC8 (0.76) TMPRSS2ACHEHDAC8
SCHEMBL4794126 0.69 HDAC8 (0.76) TMPRSS2ACHEHDAC8
SCHEMBL4882090 0.69 HDAC8 (0.60) TMPRSS2NAMPTACHENPC1RAB9A
SCHEMBL4882084 0.69 HDAC8 (0.60) TMPRSS2NAMPTACHENPC1RAB9A
SCHEMBL22493880 0.68 TMPRSS2 (0.57) L3MBTL3TMPRSS2NAMPTACHEHSD17B3
SCHEMBL4779013 0.68 HDAC8 (0.60) NPC1RAB9AHDAC8

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
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO disclosed