SCHEMBL28752152

SCHEMBL28752152

NCCc1csc(N(N)C(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
GABRA5 P31644 1/20 0.37
GABRB2 P47870 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC1 Q13547 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
NOS1 P29475 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL27534103 0.87 GABRA5 (0.37) AOC3GABRA5GABRB2HSD17B10MEN1
SCHEMBL6792988 0.83 KMT2A (0.44) AOC3GABRA5GABRB2HSD17B10MEN1
SCHEMBL27583345 0.80 MEN1 (0.37) AOC3MEN1KMT2ALMNAALDH1A1
SCHEMBL27564946 0.75 MEN1 (0.39) MEN1KMT2ALMNAL3MBTL1
SCHEMBL9386347 0.74 MEN1 (0.47) AOC3MEN1KMT2ANOS1MAPT
SCHEMBL27534118 0.71 GRM2 (0.31) SMN1; SMN2
SCHEMBL27583338 0.71 GSTO1 (0.35) HDAC1HDAC6
SCHEMBL28752153 0.69 AOC3 (0.52) AOC3GABRA5GABRB2HSD17B10MEN1
SCHEMBL16095811 0.66 MEN1 (0.38) GABRA5GABRB2HSD17B10MEN1KMT2A
SCHEMBL307817 0.65

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-1478077-A Benzamide compounds as APO B secretion inhibitors ����ҩƷ��ҵ��ʽ���� 2004-02-25 CN disclosed