SCHEMBL3966940

SCHEMBL3966940

COCC(=NO)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
GAA P10253 3/20 0.46
HTT P42858 3/20 0.44
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A4 P31645 1/20 0.39
TSHR P16473 2/20 0.39
DRD4 P21917 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKT1 P31749 1/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL27209008 1.00 ATM (0.47) ATMGAAHTTKDM4ESMN1; SMN2
SCHEMBL7723695 0.85 GAA (0.42) ATMGAAHTTKDM4ESMN1; SMN2
SCHEMBL22668297 0.82 GSK3B (0.46) ATMGAAHTTSLC6A4TSHR
SCHEMBL16563474 0.80 GSK3B (0.53) ATMGAAHTTKDM4ESMN1; SMN2
SCHEMBL5468294 0.80 ALDH1A1 (0.45) ATMGAAKDM4ESMN1; SMN2SLC6A4
SCHEMBL5468295 0.80 ALDH1A1 (0.45) ATMGAAKDM4ESMN1; SMN2SLC6A4
SCHEMBL27208908 0.80 GAA (0.44) GAAHTTKDM4ESMN1; SMN2SLC6A4
SCHEMBL16563473 0.80 GSK3B (0.53) ATMGAAHTTKDM4ESMN1; SMN2
SCHEMBL28738527 0.80 SMN1; SMN2 (0.66) KDM4ESMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL27208795 0.80 GAA (0.44) GAAHTTKDM4ESMN1; SMN2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011201-A Preparation method of amide 南京工业大学 2017-08-04 CN claimed
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 US claimed
JP-2007501701-A 2007-02-01 JP claimed
CN-1845789-A Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL FRANCE (FR) 2006-10-11 CN claimed
EP-1660232-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF Total France (FR) 2006-05-31 EP claimed
WO-2005016518-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL FRANCE (FR) 2005-02-24 WO claimed
CN-107011201-B A kind of preparation method of amide 南京工业大学 2019-11-22 CN disclosed
CN-109824660-A The method that rhodium catalysis arene oxidizing amination prepares the aromatic amine compounds of 2- pyridyl group substitution 陕西师范大学 2019-05-31 CN disclosed
CN-107382856-A New multi-substituted isoquinoline derivative and its synthetic method 江苏理工学院 2017-11-24 CN disclosed
CN-105037211-B A kind of threonyl amine carbamate derivative and application 南开大学 2017-08-18 CN disclosed
CN-107011201-A Preparation method of amide 南京工业大学 2017-08-04 CN disclosed
US-8535515-B2 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL FRANCE (FR) 2013-09-17 US disclosed
CN-1845789-B Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL FRANCE 2011-05-11 CN disclosed
WO-2005016518-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL FRANCE (FR) 2005-02-24 WO disclosed
US-5608069-A TREATMENT OF NERVOUS SYSTEM DISORDERS WITH GAMMA-AMINOBUTYRIC ACID NOVO NORDISK A/S (DK) 1997-03-04 US disclosed
CN-1128990-A N-substituted azaheterocyclic carboxylic acids and esters thereof NOVO NORDISK AS (DK) 1996-08-14 CN disclosed
EP-0555068-B1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1996-04-10 EP disclosed
EP-0555068-A1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed
CN-1005376-B Herbicides containing 5- (2-chloro-4-trifluoromethylphenoxy) -2-nitro-alpha-substituted acetophenone and/or oxime derivative as active ingredient and method for eliminating undesirable weeds 旭化成工业株式会社 1989-10-11 CN disclosed
CN-85109609-A Contain the acetophenone of 5-(2-chloro-4-4-trifluoromethylphenopendant)-2-nitro-alpha-substituted and/or derivative oxime as the weed killer herbicide of active ingredient and eliminate unwanted method for weed 1986-11-05 CN disclosed