SCHEMBL7083520

SCHEMBL7083520

CC(=O)Nc1nc(CCOc2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
RAB9A P51151 4/20 0.58
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
CASP3 P42574 1/20 0.51
HTT P42858 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
AOC3 Q16853 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CSNK2A2 P19784 1/20 0.46

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
SCHEMBL6799338 0.89 RAB9A (0.70) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6499921 0.86 L3MBTL1 (0.46) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7079364 0.84 AOC3 (0.59) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL3931075 0.82 AOC3 (0.64) RAB9ASMN1; SMN2KMT2AMEN1AOC3
SCHEMBL21382353 0.80 RAB9A (0.64) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6489114 0.80 SMN1; SMN2 (0.51) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9047133 0.77 RAB9A (0.60) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7083523 0.74 RAB9A (0.59) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL4295973 0.74 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL6488833 0.74 SIRT1 (0.40) MAPTRAB9ANPC1SMN1; SMN2KMT2A

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-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed