SCHEMBL7947312

SCHEMBL7947312

N#Cc1ccc(N2CCN(c3ccncc3)CC2)c(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.50
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
MCOLN2 Q8IZK6 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MCOLN1 Q9GZU1 1/20 0.44
SLC40A1 Q9NP59 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
CREBBP Q92793 1/20 0.42
HTR6 P50406 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 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
SCHEMBL7947310 0.87 MCOLN3 (0.50) SLC22A12L3MBTL1GAAMCOLN2MCOLN3
SCHEMBL7956246 0.82 SMN1; SMN2 (0.44) SLC22A12LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7956239 0.74 CYP19A1 (0.46) LMNAL3MBTL1GAASMN1; SMN2MEN1
SCHEMBL7589336 0.73 SLC22A12 (0.54) SLC22A12SLC40A1GLO1
SCHEMBL18299624 0.72 SLC22A12 (0.51) SLC22A12SLC40A1GLO1
SCHEMBL29978040 0.71 MCOLN2 (0.53) LMNAALDH1A1L3MBTL1GAAMCOLN2
SCHEMBL7859592 0.70 SLC22A12 (0.51) SLC22A12ALDH1A1GAASLC40A1HTR6
SCHEMBL7947468 0.70 CYP19A1 (0.49) HTR6AVPR1B
SCHEMBL7956244 0.69 CYP19A1 (0.65) LMNAALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL7956448 0.69 HTT (0.46) HTT

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-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed