SCHEMBL8832296

SCHEMBL8832296

CCOC(=O)c1cc([N+](=O)[O-])c(/C=C/N(C)C)nc1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MITF O75030 2/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
GALR2 O43603 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 6/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL8832301 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MITFPOLBLMNA
SCHEMBL8832359 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MITFPOLBLMNA
SCHEMBL8832353 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MITFPOLBLMNA
SCHEMBL8832077 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MITFPOLBLMNA
SCHEMBL8832079 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MITFPOLBLMNA
SCHEMBL8661697 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MITFPOLBLMNA
SCHEMBL8322183 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MITFPOLBLMNA
SCHEMBL8321257 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MITFPOLBLMNA
SCHEMBL396046 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MITFPOLBLMNA
SCHEMBL396045 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MITFPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622913-A CONTROLLING PLANT GROWTH AMERICAN CYANAMID COMPANY (US) 1997-04-22 US disclosed
US-5599772-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5599773-A (2-imidazolin-2-yl) fused heteropyridine compounds and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5571773-A PREEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-11-05 US disclosed
US-5565412-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-10-15 US disclosed
US-5565411-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-10-15 US disclosed
US-5563113-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-10-08 US disclosed
US-5554579-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-09-10 US disclosed
US-5536702-A (2-imidazolin-2-yl) fused heteropyridine compounds and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-07-16 US disclosed
US-5536839-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-07-16 US disclosed
US-5534483-A (2-imidazolin-2-yl) fused heteropyridine compounds intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534485-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534484-A (2-imidazolin-2-yl)fused heteropyridine compounds intermediates for the preparation of and use of said compounds and herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5532207-A CONTROL OF MONO- AND DI-COTYLEDONOUS ANNUAL, PERENNIAL AND AQUATIC PLANTS; PRE- AND POST-EMERGENCE USE AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed
US-5252538-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-10-12 US disclosed
EP-0227932-B1 NOVEL FUSED PYRIDINE COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1993-01-13 EP disclosed
EP-0227932-A1 Novel fused pyridine compounds, intermediates for the preparation of, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-07-08 EP disclosed