SCHEMBL7086791

SCHEMBL7086791

CC(C)(C)OC(=O)Nc1cccc(CCOc2ccc([N+](=O)[O-])cn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PABPC1 P11940 2/20 0.37
POLB P06746 1/20 0.37
ALOX5 P09917 1/20 0.37
SLC29A1 Q99808 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6796448 0.90 LMNA (0.43) CYP1A2GAANPC1RAB9AMEN1
SCHEMBL6487610 0.87 MAPT (0.48) CYP1A2GAANPC1RAB9AMEN1
SCHEMBL6500770 0.84 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA5
SCHEMBL6488833 0.82 SIRT1 (0.40) CYP1A2GAANPC1RAB9AMEN1
SCHEMBL6497053 0.79 NPC1 (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7086795 0.79 CYP2C19 (0.40) CYP1A2GAANPC1RAB9AMEN1
SCHEMBL10233481 0.77 CA12 (0.48) CYP1A2GAANPC1RAB9AMEN1
SCHEMBL115820 0.76 CYP1A2 (0.65) CYP1A2GAANPC1RAB9AMEN1
SCHEMBL6500907 0.76 MMP1 (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL16980508 0.76 CA12 (0.49) CYP1A2GAARAB9AMEN1KMT2A

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