SCHEMBL5804307

SCHEMBL5804307

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.67
FBP1 P09467 2/20 0.65
VCP P55072 1/20 0.65
CYP19A1 P11511 1/20 0.65
MAPT P10636 5/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAOB P27338 2/20 0.54
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GLO1 Q04760 1/20 0.50
HSP90AA1 P07900 3/20 0.49
MITF O75030 1/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 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
SCHEMBL1819754 1.00 NFE2L2 (0.67) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL15498134 0.85 NFE2L2 (0.89) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL29453878 0.85 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL100242 0.85 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL100241 0.85 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL2062219 0.85 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
Benzene SCHEMBL28683414 0.83 NFE2L2 (0.68) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11301074 0.82 CYP19A1 (0.93) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11301072 0.82 CYP19A1 (0.93) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL1405314 0.80 NFE2L2 (1.00) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4410696-A Antitumor and immunosuppressive 4-carbamoylimidazolium-5-olate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-18 US claimed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 EP claimed
CN-109761941-A 2- (benzofuran -7- oxygroup)-N '-substituted aryl/alkyl acetoacetates hydazone derivative and the preparation method and application thereof 河北大学 2019-05-17 CN disclosed
CN-106380442-A Preparation method of calcium ion channel antagonist manidipine 张家港威胜生物医药有限公司 2017-02-08 CN disclosed
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO disclosed
US-6528655-B1 Hydroxyphenyl diamido derivatives PHARMACOR, INC. (CA) 2003-03-04 US disclosed
US-4495192-A HYPOTENSIVE AGENTS; VASODILATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-22 US disclosed
US-4410696-A Antitumor and immunosuppressive 4-carbamoylimidazolium-5-olate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-18 US disclosed
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP disclosed