SCHEMBL31069822

SCHEMBL31069822

Cc1ccc(S(=O)(=O)n2ccc3nc(N(C(=O)OC(C)(C)C)c4cnc5c(ccn5S(=O)(=O)c5ccc(C)cc5)n4)cnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.35
HTT P42858 2/20 0.35
ALDH3A1 P30838 1/20 0.35
NOD1 Q9Y239 1/20 0.35
MET P08581 2/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
F2 P00734 2/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PTPN11 Q06124 1/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL27876353 0.91 L3MBTL1 (0.42) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL1536109 0.90 L3MBTL1 (0.42) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL14794936 0.86 L3MBTL1 (0.39) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL1933800 0.86 L3MBTL1 (0.39) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL13580580 0.82 HSD11B1 (0.37) L3MBTL1HTTMETKMT2AMEN1
SCHEMBL1535993 0.81 HSD11B1 (0.37) L3MBTL1POLBHTTMETKMT2A
SCHEMBL4350480 0.81 ALDH1A1 (0.37) L3MBTL1POLBKMT2AMEN1F2
SCHEMBL2318675 0.80 L3MBTL1 (0.47) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL1536091 0.80 L3MBTL1 (0.43) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL30007018 0.80 L3MBTL1 (0.43) L3MBTL1POLBHTTALDH3A1NOD1

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
CN-118598876-A Preparation method of 5-toluenesulfonyl-5H-pyrrolo [2,3-b ] pyrazine-2-amine hydrochloride 南方科技大学坪山生物医药研究院 2024-09-06 CN disclosed