SCHEMBL7084355

SCHEMBL7084355

O=C(Nc1ccc([N+](=O)[O-])cc1)OCCc1cscn1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
MAPT P10636 9/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
CXCR4 P61073 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
MYOC Q99972 1/20 0.41
POLB P06746 3/20 0.41
PABPC1 P11940 1/20 0.40

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
SCHEMBL2072071 0.77 MAPT (0.67) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6487654 0.76 MAPT (0.46) MEN1KMT2ARAB9AMAPTGAA
SCHEMBL28915066 0.75 MEN1 (0.68) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6678960 0.74 MGLL (0.56) KMT2ANPC1RAB9AMAPTGAA
SCHEMBL12916012 0.74 MAPT (0.62) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL27182807 0.73 MAPT (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL23541512 0.72 MAPT (0.60) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL10944355 0.72 MAPT (0.80) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4238027 0.72 MAPT (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2071222 0.71 KMT2A (0.63) MEN1KMT2ANPC1RAB9AMAPT

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