SCHEMBL6989267

SCHEMBL6989267

NS(=O)(=O)c1ccc(CCO)c2cccc([N+](=O)[O-])c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
GRM6 O15303 1/20 0.44
GLA P06280 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
RECQL P46063 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIK2 Q13002 1/20 0.44

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
SCHEMBL6995262 0.84 KDM4E (0.43) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL7805887 0.81 KMT2A (0.43) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL7694792 0.76 F2 (0.47) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL9747101 0.73 KMT2A (0.46) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL21358286 0.73 CA2 (0.40) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL6997481 0.72 THRB (0.34) KMT2AALDH1A1MAPTTDP1MEN1
SCHEMBL14149481 0.70 TDP1 (0.64) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL22531716 0.70 KMT2A (0.52) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL29549101 0.70 KMT2A (0.52) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL6618259 0.70 TDP1 (0.44) KMT2AALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028962-B1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2003-04-23 EP disclosed
EP-1023062-B1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2002-12-18 EP disclosed
US-6399597-B1 CARBAPENICILLIN ANTIBIOTICS MERCK & CO., INC. 2002-06-04 US disclosed
EP-1028962-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1023062-A4 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1032383-A4 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT MERCK & CO INC (US) 2001-11-21 EP disclosed
US-6294529-B1 ANTIBIOTICS BACTERICIDES MERCK & CO., INC. 2001-09-25 US disclosed
EP-1027352-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-09-19 EP disclosed
US-6140318-A FOR TREATING BACTERIAL INFECTIONS MERCK & CO., INC. (US) 2000-10-31 US disclosed
EP-1032383-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT Merck & Co., Inc. (US) 2000-09-06 EP disclosed
EP-1028962-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-23 EP disclosed
EP-1027352-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-16 EP disclosed
EP-1023062-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-02 EP disclosed
US-6008212-A ANTIBIOTICS AGAINST METHICILLIN RESISTANT STAPHYLOCOCCI MERCK & CO., INC. (US) 1999-12-28 US disclosed
US-5994345-A ANTIBIOTICS MERCK & CO., INC. (US) 1999-11-30 US disclosed
WO-1999020269-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999020627-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999020628-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999018954-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-22 WO disclosed