SCHEMBL8882154

SCHEMBL8882154

CC=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.71
FBP1 P09467 2/20 0.69
VCP P55072 1/20 0.69
CYP19A1 P11511 1/20 0.69
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
GLO1 Q04760 1/20 0.57
MAOB P27338 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MITF O75030 1/20 0.54
ACHE P22303 1/20 0.53
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL10604120 1.00 NFE2L2 (0.71) NFE2L2FBP1VCPCYP19A1MAPT
Formaldehyde SCHEMBL28045420 0.96 NFE2L2 (0.67) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL15498134 0.88 NFE2L2 (0.89) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11301072 0.85 CYP19A1 (0.93) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11301074 0.85 CYP19A1 (0.93) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL453450 0.85 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL1405312 0.83 NFE2L2 (1.00) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL1405314 0.83 NFE2L2 (1.00) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL6159265 0.82 NFE2L2 (0.57) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL13622504 0.82 NFE2L2 (0.79) NFE2L2FBP1VCPCYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104529683-B The preparation method of 1-phenylpropene derivatives 陕西师范大学 2016-08-17 CN disclosed
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN disclosed
US-5696110-A ANTIULCER AGENTS MERCK, SHARP & DOHME, LTD. (GB) 1997-12-09 US disclosed
EP-0609306-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1994-08-10 EP disclosed
CN-1087086-A Thiazolylvinylphenyl derivatives HOFFMANN LA ROCHE (CH) 1994-05-25 CN disclosed
WO-1993008176-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1993-04-29 WO disclosed
EP-0539170-A1 Benzodiazepine derivatives and their use as antagonists of cholecystokinin and/or gastrin receptors MERCK SHARP & DOHME LTD. (GB) 1993-04-28 EP disclosed
EP-0104863-B1 LIGHT-SENSITIVE PLANOGRAPHIC PRINTING PLATE FUJI PHOTO FILM CO., LTD. (JP) 1989-05-03 EP disclosed