SCHEMBL3855976

SCHEMBL3855976

O=C1OC(=O)c2c1c([N+](=O)[O-])cc1ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 1/20 0.49
HPRT1 P00492 1/20 0.46
MAPT P10636 2/20 0.43
HNF4A P41235 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDK2 P24941 1/20 0.42
LMNA P02545 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
CTSB P07858 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 1/20 0.38
C1R P00736 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
RAB9A P51151 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
SCHEMBL3858202 0.83 ALDH1A1 (0.49) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL579452 0.80 CYP3A4 (0.50) CASP6TDP1TSHRALDH1A1CYP3A4
SCHEMBL1323425 0.79 CASP6 (0.53) CASP6TDP1TSHRALDH1A1CYP3A4
SCHEMBL6154941 0.79 ALDH1A1 (0.43) CASP6TDP1TSHRALDH1A1CYP3A4
SCHEMBL4959291 0.78 CYP3A4 (0.54) CASP6TDP1TSHRALDH1A1CYP3A4
SCHEMBL8653951 0.76 S100A4 (0.52) CASP6TDP1TSHRALDH1A1CYP3A4
SCHEMBL8622947 0.74 HPRT1 (0.76) CASP6TDP1TSHRALDH1A1CYP3A4
SCHEMBL9621304 0.74 CYP3A4 (0.59) CASP6TDP1TSHRALDH1A1CYP3A4
SCHEMBL11330582 0.74 TDP1 (0.61) CASP6TDP1TSHRALDH1A1CYP3A4
SCHEMBL4440392 0.73 CTSB (0.49) CASP6TDP1TSHRALDH1A1CYP3A4

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112672816-B Aromatic amide dispersants 路博润先进材料公司 2023-01-20 CN disclosed
CN-112672816-A Aromatic amide dispersants 路博润先进材料公司 2021-04-16 CN disclosed
EP-2844688-B1 AROMATIC DISPERSANT COMPOSITION LUBRIZOL ADVANCED MAT INC (US) 2020-06-03 EP disclosed
US-9540486-B2 Aromatic dispersant composition LUBRIZOL ADVANCED MATERIALS, INC. (US) 2017-01-10 US disclosed
US-20150148476-A1 AROMATIC DISPERSANT COMPOSITION LUBRIZOL ADVANCED MATERIALS, INC. 2015-05-28 US disclosed
EP-2844688-A1 AROMATIC DISPERSANT COMPOSITION Lubrizol Advanced Materials, Inc. (US) 2015-03-11 EP disclosed
WO-2015013456-A1 INDICATOR COMPOUNDS, POLYMERIZABLE DERIVATIVES THEREOF AND INFECTION INDICATING MEDICAL DEVICES COMPRISING THE SAME INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-01-29 WO disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
WO-2013165792-A1 AROMATIC DISPERSANT COMPOSITION LUBRIZOL ADVANCED MATERIALS, INC. (US) 2013-11-07 WO disclosed
EP-2118065-B1 Substituted 1H-benz[de]isoquinoline-1,3-diones COUNCIL SCIENT IND RES (IN) 2013-08-14 EP disclosed
US-5376664-A Unsymmetrical mono-3-nitro bis-naphthalimides as anticancer agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-12-27 US disclosed
US-5359070-A ANTITUMOR AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-25 US disclosed
WO-1994018171-A1 UNSYMMETRICAL BIS-IMIDES AS ANTICANCER AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-08-18 WO disclosed
EP-0604181-A1 Antitumor compositions and method of treatment ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
EP-0315988-A2 Photopolymerizable composition Nippon Paint Co., Ltd. (JP) 1989-05-17 EP disclosed
EP-0017513-B2 ELECTROPHOTOGRAPHIC MEMBER AND PROCESS FOR FORMING A LATENT IMAGE RANK XEROX LIMITED (GB) 1986-12-30 EP disclosed
EP-0017513-B1 ELECTROPHOTOGRAPHIC MEMBER AND PROCESS FOR FORMING A LATENT IMAGE RANK XEROX LIMITED (GB) 1983-01-19 EP disclosed
US-4315980-A ELECTRON ACCEPTOR ACTIVATORS FUJI XEROX CO., LTD. (JP) 1982-02-16 US disclosed
EP-0017513-A1 Electrophotographic member and process for forming a latent image RANK XEROX LIMITED (GB) 1980-10-15 EP disclosed
US-4146720-A RODENTICIDES AND ANTITUMOR AGENTS LABORATORIOS MADE, S.A. (ES) 1979-03-27 US disclosed