SCHEMBL6575271

SCHEMBL6575271

Nc1ccccc1C(=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
MGLL Q99685 1/20 0.50
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
CFTR P13569 1/20 0.47
KDM4E B2RXH2 4/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PDK2 Q15119 1/20 0.42
CRBN Q96SW2 1/20 0.42
RECQL P46063 1/20 0.41
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1341836 0.92 HDAC3 (0.51) HSD11B1MGLLMAPTGAAALDH1A1
SCHEMBL8880100 0.92 HSD11B1 (0.48) HSD11B1MGLLMAPTGAAALDH1A1
SCHEMBL29990240 0.92 HDAC3 (0.51) HSD11B1MGLLMAPTGAAALDH1A1
SCHEMBL3918618 0.91 ALDH1A1 (0.47) HSD11B1MGLLMAPTGAAALDH1A1
SCHEMBL3920568 0.90 HDAC3 (0.54) HSD11B1MGLLMAPTGAAALDH1A1
SCHEMBL29953271 0.90 HDAC3 (0.54) HSD11B1MGLLMAPTGAAALDH1A1
SCHEMBL3908300 0.90 HDAC3 (0.54) HSD11B1MGLLMAPTGAAALDH1A1
SCHEMBL5209254 0.87 HTR3E (0.55) HSD11B1MGLLMAPTGAAALDH1A1
SCHEMBL3913227 0.87 GLA (0.50) HSD11B1MGLLMAPTGAAALDH1A1
Hydrochloric Acid SCHEMBL5212698 0.86 HTR3E (0.54) HSD11B1MGLLMAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747365-B1 Process and intermediates for the manufacture of herbicidal 1- [2-(cyclopropylcarbonyl)phenyl] sulfamoyl -3-(4,6-dialkoxy-2-pyrimidinyl)urea compounds BASF AG (DE) 2004-08-11 EP claimed
EP-0852224-B1 Aryne intermediates towards the preparation of herbicidal sulfamoyl urea and a process for their preparation AMERICAN CYANAMID CO (US) 2001-10-31 EP claimed
EP-0849262-B1 Aminophenyl ketone derivatives and a method for the preparation thereof AMERICAN CYANAMID CO (US) 2001-10-17 EP claimed
US-6150301-A Chemical abscission of fruits at low application rates WILCOX MERRILL (US) 2000-11-21 US claimed
US-6127576-A Aminophenyl ketone derivatives and a method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 2000-10-03 US claimed
US-5856576-A Aryne intermediates and a process for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1999-01-05 US claimed
EP-0682007-B1 Method for the preparation of 4-halo-2'-nitrobutyrophenone AMERICAN CYANAMID CO (US) 1998-10-07 EP claimed
EP-0852224-A1 Aryne intermediates towards the preparation of herbicidal sulfamoyl urea and a process for their preparation American Cyanamid Company (US) 1998-07-08 EP claimed
EP-0849262-A1 Aminophenyl ketone derivatives and a method for the preparation thereof American Cyanamid Company (US) 1998-06-24 EP claimed
EP-0655436-B1 Improved process for the manufacture of cycloalkyl and haloalkyl o-aminophenyl ketones AMERICAN CYANAMID CO (US) 1998-03-11 EP claimed
US-5559234-A Process for the manufacture of herbicidal 1-{[2-(cyclopropylcarbonyl)phyenyl]sulfamoyl}-3-(4,6-dialkoxy-2-pyrimidinyl)urea compounds AMERICAN CYANAMID COMPANY (US) 1996-09-24 US claimed
EP-0577945-B1 Herbicide intermediate o-nitrophenyl cyclopropyl ketone and a method for the preparation thereof AMERICAN CYANAMID CO (US) 1996-08-14 EP claimed
EP-0682007-A1 Method for the preparation of 4-halo-2'-nitrobutyrophenone AMERICAN CYANAMID COMPANY (US) 1995-11-15 EP claimed
EP-0463287-B1 1-((O-(cyclopropylcarbonyl)phenyl)sulfamoyl)-3-(4,6-dimethoxy-2-pyrimidinyl)urea and method for the preparation thereof AMERICAN CYANAMID CO (US) 1995-09-20 EP claimed
EP-0655436-A1 Improved process for the manufacture of cycloalkyl and haloalkyl o-aminophenyl ketones AMERICAN CYANAMID COMPANY (US) 1995-05-31 EP claimed
US-5364968-A Herbicide intermediate o-nitrophenyl cyclopropyl ketone and a method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1994-11-15 US claimed
US-5362911-A Process for the preparation of o-aminophenyl cyclo-propyl ketone AMERICAN CYANAMID COMPANY (US) 1994-11-08 US claimed
EP-0577945-A1 Herbicide intermediate o-nitrophenyl cyclopropyl ketone and a method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1994-01-12 EP claimed
US-5107023-A Herbicides AMERICAN CYANAMID COMPANY (US) 1992-04-21 US claimed
EP-0463287-A1 1-((O-(cyclopropylcarbonyl)phenyl)sulfamoyl)-3-(4,6-dimethoxy-2-pyrimidinyl)urea and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1992-01-02 EP claimed