SCHEMBL8535843

SCHEMBL8535843

Nc1ccc(F)cc1C(=O)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.59
HSD11B1 P28845 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
FADS1 O60427 1/20 0.42
HDAC2 Q92769 4/20 0.41
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIN1 Q13526 1/20 0.38
MAPT P10636 1/20 0.38
NPY2R P49146 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
SCHEMBL1342200 0.93 KEAP1 (0.56) KEAP1HSD11B1L3MBTL1FADS1HDAC2
SCHEMBL5278682 0.92 KEAP1 (0.54) KEAP1HSD11B1FADS1HDAC2HDAC3
SCHEMBL4674613 0.90 KEAP1 (0.53) KEAP1HSD11B1FADS1HDAC2HDAC3
SCHEMBL4674606 0.89 KEAP1 (0.51) KEAP1HSD11B1L3MBTL1FADS1HDAC2
SCHEMBL11749982 0.86 HTR1F (0.52) KEAP1HSD11B1L3MBTL1HDAC2HDAC3
SCHEMBL8105872 0.84 KEAP1 (0.46) KEAP1HSD11B1HDAC2HDAC3HDAC1
SCHEMBL31231867 0.80 PIN1 (0.56) HSD11B1L3MBTL1CES2CES1ALDH1A1
SCHEMBL1342037 0.79 HDAC3 (0.46) KEAP1HSD11B1L3MBTL1HDAC2HDAC3
SCHEMBL2471282 0.79 RECQL (0.56) FADS1ALDH1A1MEN1KMT2A
SCHEMBL30590434 0.79 RECQL (0.56) FADS1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679646-B1 Sulfonyl ureas as herbicidal compounds AMERICAN CYANAMID CO (US) 1998-07-29 EP claimed
EP-0679646-A1 Sulfonyl ureas as herbicidal compounds AMERICAN CYANAMID COMPANY (US) 1995-11-02 EP claimed
JP-7304754-A None JP disclosed
CN-1067382-C 1-{[2-(cyclopropylcarbonyl)-4-fluorophenyl] sulfamoyl}-3-(4,6-Dimethoxy-2-pyrimidinyl)urea and itsd herbicidal AMERICAN CYANAMID CO (US) 2001-06-20 CN disclosed
EP-0682007-B1 Method for the preparation of 4-halo-2'-nitrobutyrophenone AMERICAN CYANAMID CO (US) 1998-10-07 EP disclosed
EP-0679646-B1 Sulfonyl ureas as herbicidal compounds AMERICAN CYANAMID CO (US) 1998-07-29 EP disclosed
US-5599996-A CHEMICAL INTERMEDIATES FOR HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5599996-A CHEMICAL INTERMEDIATES FOR HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5492884-A PREEMERGENCE, POSTEMERGENCE AMERICAN CYANAMID COMPANY (US) 1996-02-20 US disclosed
CN-1112923-A 1-{[2-(cyclopropylcarbonyl)-4-fluorophenyl] sulfamoyl}-3-(4,6-Dimethoxy-2-pyrimidinyl)urea and itsd herbicidal AMERICAN CYANAMID CO (US) 1995-12-06 CN disclosed
JP-H07304754-A 1-((2-(CYCLOPROPYLCARBONYL)-4-FLUOROPHENYL)SULFAMOYL)-3-(4,6-DIMETHOXY2-PYRIMIDINYL) UREA AND ITS HERBICIDAL USE AMERICAN CYANAMID CO 1995-11-21 JP disclosed
EP-0682007-A1 Method for the preparation of 4-halo-2'-nitrobutyrophenone AMERICAN CYANAMID COMPANY (US) 1995-11-15 EP disclosed
EP-0679646-A1 Sulfonyl ureas as herbicidal compounds AMERICAN CYANAMID COMPANY (US) 1995-11-02 EP disclosed