SCHEMBL7080428

SCHEMBL7080428

O=C(Nc1ccc(NCCc2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PPARG P37231 3/20 0.47
CYP3A4 P08684 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
MAPK1 P28482 2/20 0.47
PKM P14618 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47

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
SCHEMBL6792301 0.89 MEN1 (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7085345 0.85 CNR1 (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7080851 0.85 SMO (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6492508 0.84 SMN1; SMN2 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6796673 0.84 HTT (0.59) MEN1KMT2ANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7079728 0.83 SMN1; SMN2 (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7086601 0.83 SMN1; SMN2 (0.53) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6498179 0.83 RAB9A (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6489631 0.82 TAS1R3 (0.56) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6791511 0.82 HTT (0.57) MEN1KMT2ANPC1RAB9AALDH1A1

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