SCHEMBL7464396

SCHEMBL7464396

NS(=O)(=O)c1cc2c(c3cccc([N+](=O)[O-])c13)CCNC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.49
MAPT P10636 5/20 0.47
HSD17B10 Q99714 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
MEN1 O00255 2/20 0.47
GRM6 O15303 1/20 0.47
GLA P06280 1/20 0.47
THRB P10828 1/20 0.47
CYP2C19 P33261 1/20 0.47
GRIK1 P39086 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
RECQL P46063 1/20 0.47
GRIA4 P48058 1/20 0.47

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
SCHEMBL7529359 0.90 KMT2A (0.50) PNMTMAPTHSD17B10KMT2ATDP1
SCHEMBL7531086 0.81 KMT2A (0.57) PNMTMAPTHSD17B10KMT2ATDP1
SCHEMBL29507169 0.72 PNMT (0.58) PNMTMAPTHSD17B10TDP1ALDH1A1
SCHEMBL1010736 0.72 PNMT (0.58) PNMTMAPTHSD17B10TDP1ALDH1A1
SCHEMBL7524049 0.71 PNMT (0.38) PNMTMAPTHSD17B10KMT2ATDP1
Hydrochloric Acid SCHEMBL30418304 0.70 PNMT (0.57) PNMTMAPTHSD17B10TDP1ALDH1A1
SCHEMBL5408570 0.69 PNMT (0.58) PNMTADRA2AADRA2BADRA2CCA2
SCHEMBL7524111 0.68 PNMT (0.38) PNMTMAPTHSD17B10KMT2ATDP1
SCHEMBL6294929 0.68 PNMT (0.58) PNMTMAPTHSD17B10KMT2ATDP1
SCHEMBL7520495 0.67 KDM4E (0.40) PNMTMAPTHSD17B10KMT2ATDP1

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