SCHEMBL26408

SCHEMBL26408

NC([C]=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
IDO1 P14902 4/20 0.49
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 3/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
DPP4 P27487 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL26409 1.00 LOXL2 (0.53) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL2268068 1.00 LOXL2 (0.53) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL10522155 0.80 TSHR (0.54) TSHRALDH1A1CYP2C19POLBLMNA
SCHEMBL10522164 0.80 TSHR (0.54) TSHRALDH1A1CYP2C19POLBLMNA
SCHEMBL17045236 0.78 LOXL2 (0.57) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL8986807 0.78 LOXL2 (0.62) LOXL2IDO1KCNJ1KCNH2
SCHEMBL11601065 0.78 LOXL2 (0.62) LOXL2IDO1KCNJ1KCNH2
SCHEMBL11369488 0.78 LOXL2 (0.57) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL3844658 0.78 LOXL2 (0.57) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL17045214 0.78 LOXL2 (0.57) LOXL2IDO1TSHRALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US claimed
EP-0356796-A2 Aminomethyl peptides, production process and their use as medicaments BAYER AG (DE) 1990-03-07 EP claimed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US claimed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP claimed
EP-1438586-B1 FRET PROTEASE ASSAYS FOR CLOSTRIDIAL TOXINS ALLERGAN INC (US) 2012-01-11 EP disclosed
EP-1901069-B1 Fret protease assays for clostridial toxins ALLERGAN INC (US) 2012-01-04 EP disclosed
US-7270801-B2 Fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2007-09-18 US disclosed
EP-1232183-B1 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LAB (US) 2006-01-18 EP disclosed
US-6984718-B2 Fluorescence dyes and their applications for whole-cell fluorescence screening assays for caspases, peptidases, proteases and other enzymes and the use thereof CYTOVIA, INC. (US) 2006-01-10 US disclosed
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20040191844-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2004-09-30 US disclosed
EP-1100520-B1 NOVEL FLUORESCENCE DYES AND THEIR APPLICATIONS FOR WHOLE CELL FLUORESCENCE SCREENING ASSAYS FOR CASPASES, PEPTIDASES, PROTEASES AND OTHER ENZYMES AND THE USE THEREOF CYTOVIA INC (US) 2004-09-22 EP disclosed
US-5516642-A FOR TREATING DIABETES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-05-14 US disclosed
US-5122610-A Renin inhibitor intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-06-16 US disclosed
US-5066783-A Antiviral peptides and means for treating herpes infections COHEN ERIC A (CA) 1991-11-19 US disclosed
US-5010057-A Treatment of high blood pressure and cardiac insufficiency BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0393445-A2 Use of peptide renin inhibitors as an agent against retrovirus BAYER AG (DE) 1990-10-24 EP disclosed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP disclosed
US-4244944-A OLIGOPEPTIDE OF TYROSINE, METHIONINE (OPTIONALLY OXIDIZED), GLYCINE, NITROPHENYLALANINE, PROLINAMIDE BURROUGHS WELLCOME CO. (US) 1981-01-13 US disclosed