SCHEMBL7524049

SCHEMBL7524049

NS(=O)(=O)c1c2c(cc3cccc([N+](=O)[O-])c13)CNC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 2/20 0.37
CYP2C19 P33261 2/20 0.37
RECQL P46063 2/20 0.37
GRM6 O15303 1/20 0.37
GLA P06280 1/20 0.37
ALOX15 P16050 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 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
SCHEMBL7520495 0.79 KDM4E (0.40) PNMTMAPTKDM4EKMT2AHPGD
SCHEMBL7529359 0.78 KMT2A (0.50) PNMTMAPTKDM4EKMT2AHPGD
SCHEMBL7531086 0.74 KMT2A (0.57) PNMTMAPTKDM4EKMT2AHPGD
SCHEMBL7464396 0.71 PNMT (0.49) PNMTMAPTKDM4EKMT2AHPGD
SCHEMBL5274188 0.69 PNMT (0.51) PNMTMAPTKMT2AHSD17B10TDP1
SCHEMBL6812640 0.68 TDP1 (0.52) MAPTKMT2AHSD17B10TDP1MEN1
SCHEMBL7524111 0.68 PNMT (0.38) PNMTMAPTKDM4EKMT2AHPGD
SCHEMBL29549101 0.68 KMT2A (0.52) MAPTKDM4EKMT2AHPGDHSD17B10
Hydrochloric Acid SCHEMBL31335791 0.68 PNMT (0.50) PNMTMAPTKMT2AHSD17B10TDP1
SCHEMBL22531716 0.68 KMT2A (0.52) MAPTKDM4EKMT2AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003747-A4 CARBAPENEMS WITH NAPHTHOSULTAM DERIVATIVE LINKED VIA METHYLENE MERCK & CO INC (US) 2002-11-06 EP disclosed
US-6251890-B1 TREATING OR PREVENTING BACTERIAL INFECTIONS IN MAMMALIAN PATIENTS MERCK & CO., INC. 2001-06-26 US disclosed
EP-1003747-A1 CARBAPENEMS WITH NAPHTHOSULTAM DERIVATIVE LINKED VIA METHYLENE Merck & Co., Inc. (US) 2000-05-31 EP disclosed
WO-1999009032-A1 CARBAPENEMS WITH NAPHTHOSULTAM DERIVATIVE LINKED VIA METHYLENE MERCK & CO., INC. (US) 1999-02-25 WO disclosed