SCHEMBL7947310

SCHEMBL7947310

N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 2/20 0.50
SLC22A12 Q96S37 3/20 0.49
GLO1 Q04760 1/20 0.48
MCOLN2 Q8IZK6 1/20 0.48
MCOLN1 Q9GZU1 1/20 0.48
HSD11B1 P28845 1/20 0.45
STAT3 P40763 1/20 0.43
NAMPT P43490 3/20 0.43
TSHR P16473 1/20 0.43
MMP1 P03956 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ACLY P53396 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7947312 0.87 SLC22A12 (0.50) MCOLN3L3MBTL1SLC22A12GLO1MCOLN2
SCHEMBL7956239 0.82 CYP19A1 (0.46) L3MBTL1HSD11B1NAMPTGAA
SCHEMBL21244031 0.77 MCOLN3 (0.52) MCOLN3L3MBTL1PKMMCOLN2MCOLN1
SCHEMBL21244028 0.76 MCOLN3 (0.60) MCOLN3L3MBTL1PKMMCOLN2MCOLN1
SCHEMBL7956244 0.75 CYP19A1 (0.65) NAMPTHTT
SCHEMBL7956653 0.74 GAA (0.67) L3MBTL1PKMHSD11B1TSHRGAA
SCHEMBL7956246 0.74 SMN1; SMN2 (0.44) SLC22A12NAMPT
SCHEMBL7956560 0.73 KDM4E (0.65) KDM4E
SCHEMBL7672822 0.73 MCOLN3 (0.62) MCOLN3L3MBTL1PKMMCOLN2MCOLN1
SCHEMBL21244033 0.72 MCOLN3 (0.58) MCOLN3L3MBTL1PKMMCOLN2MCOLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed