SCHEMBL6678960

SCHEMBL6678960

O=C(NCCc1cscn1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
FAAH O00519 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
MCHR1 Q99705 1/20 0.40
PKM P14618 1/20 0.39
GAA P10253 4/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
NPC1 O15118 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL6683078 0.83 TAAR1 (0.41) MGLLMAPTRAB9APKMGAA
SCHEMBL6682458 0.80 KMT2A (0.58) MGLLFAAHTRPV1ALDH1A1MAPT
SCHEMBL18703462 0.79 MGLL (0.78) MGLLFAAHTRPV1MAPTRAB9A
SCHEMBL18375247 0.79 MGLL (0.58) MGLLFAAHTRPV1ALDH1A1MAPT
SCHEMBL2114516 0.77 HTR2A (0.52) MGLLALDH1A1MAPTBCL9CTNNB1
SCHEMBL19412173 0.77 MGLL (0.84) MGLLFAAHTRPV1ALDH1A1BCL9
SCHEMBL6487654 0.76 MAPT (0.46) ALDH1A1MAPTRAB9AGAAKMT2A
SCHEMBL11668314 0.76 MGLL (0.86) MGLLFAAHTRPV1ALDH1A1BCL9
SCHEMBL14565135 0.76 MGLL (0.86) MGLLFAAHTRPV1ALDH1A1BCL9
SCHEMBL28915067 0.75 TAAR1 (0.67) MGLLFAAHTRPV1ALDH1A1MAPT

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