SCHEMBL7520495

SCHEMBL7520495

NS(=O)(=O)c1cccc2cc3c(c([N+](=O)[O-])c12)CNC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
GRM6 O15303 1/20 0.40
GLA P06280 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
GRIK1 P39086 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
RECQL P46063 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40

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
SCHEMBL7524049 0.79 PNMT (0.38) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL7531086 0.78 KMT2A (0.57) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL7529359 0.74 KMT2A (0.50) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL9017220 0.67 PNMT (0.45) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL7464396 0.67 PNMT (0.49) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL11338117 0.67 PNMT (0.46) ALDH1A1CYP2C19PNMTCYP1A2CYP2D6
SCHEMBL7524111 0.66 PNMT (0.38) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL29549101 0.66 KMT2A (0.52) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL22531716 0.66 KMT2A (0.52) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL30897551 0.65 GPR35 (0.41) KDM4EMAPTHPGDHSD17B10ALDH1A1

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