SCHEMBL7531086

SCHEMBL7531086

NS(=O)(=O)c1cccc2c3c(cc([N+](=O)[O-])c12)CNC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MAPT P10636 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
HSD17B10 Q99714 3/20 0.57
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 2/20 0.57
GRM6 O15303 1/20 0.57
GLA P06280 1/20 0.57
THRB P10828 1/20 0.57
CYP2C19 P33261 1/20 0.57
GRIK1 P39086 1/20 0.57
GRIA1 P42261 1/20 0.57
GRIA2 P42262 1/20 0.57
GRIA3 P42263 1/20 0.57
RECQL P46063 1/20 0.57
GRIA4 P48058 1/20 0.57
GRIK2 Q13002 1/20 0.57

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 0.91 KMT2A (0.50) KMT2AMAPTTDP1HSD17B10MEN1
SCHEMBL7464396 0.81 PNMT (0.49) KMT2AMAPTTDP1HSD17B10MEN1
SCHEMBL7520495 0.78 KDM4E (0.40) KMT2AMAPTTDP1HSD17B10MEN1
SCHEMBL7524049 0.74 PNMT (0.38) KMT2AMAPTTDP1HSD17B10MEN1
Nbqx SCHEMBL120375 0.72 GRIA1 (1.00) KMT2AMAPTTDP1HSD17B10MEN1
Nbqx SCHEMBL29356960 0.72 GRIA1 (1.00) KMT2AMAPTTDP1HSD17B10MEN1
Nbqx SCHEMBL2487669 0.72 GRIA1 (0.98) KMT2AMAPTTDP1HSD17B10MEN1
Nbqx SCHEMBL3681836 0.72 GRIA1 (0.98) KMT2AMAPTTDP1HSD17B10MEN1
SCHEMBL7524111 0.72 PNMT (0.38) KMT2AMAPTTDP1HSD17B10MEN1
SCHEMBL7095236 0.70 KMT2A (0.53) KMT2AMAPTTDP1HSD17B10MEN1

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