SCHEMBL8922338

SCHEMBL8922338

CO/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ALDH1A1 P00352 5/20 0.51
MITF O75030 1/20 0.51
AR P10275 1/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL8922348 1.00 MAPT (0.58) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL8922355 1.00 MAPT (0.58) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL7530877 0.81 MAPT (0.62) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL7530881 0.81 MAPT (0.62) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL8921387 0.79 MAPT (0.50) MAPTNPSR1NPC1RAB9AMAOB
SCHEMBL8923719 0.79 NFE2L2 (0.58) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL8923713 0.79 NFE2L2 (0.58) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL8923723 0.79 NFE2L2 (0.58) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL8921396 0.79 MAPT (0.50) MAPTNPSR1NPC1RAB9AMAOB
SCHEMBL8921393 0.79 MAPT (0.50) MAPTNPSR1NPC1RAB9AMAOB

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-0802897-A1 NOVEL COMPOUNDS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed
WO-1996021638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM S.P.A. (IT) 1996-07-18 WO disclosed