SCHEMBL6678956

SCHEMBL6678956

NC(=O)OCC(c1ccc([N+](=O)[O-])cc1)c1cscn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 3/20 0.37
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRM4 Q14833 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6683076 0.84 CYP1A2 (0.40) ALDH1A1SMN1; SMN2HTTNPSR1CYP1A2
SCHEMBL1321714 0.82 NPSR1 (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL6682454 0.80 KMT2A (0.45) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL28945418 0.73 TSHR (0.46) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL28945449 0.73 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL6678954 0.72 CAPN1 (0.38) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL22463559 0.69 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTHTTNPSR1
SCHEMBL8607054 0.69 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTHTTNPSR1
SCHEMBL7607677 0.69 NPC1 (0.50) ALDH1A1KMT2AMAPTMEN1CNR1
SCHEMBL6923839 0.67 MAPT (0.41) ALDH1A1SMN1; SMN2KMT2AMAPTHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed