SCHEMBL4725978

SCHEMBL4725978

O=[N+]([O-])CC(S[C@H](C[N+](=O)[O-])c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.66
MAPT P10636 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
KDM4E B2RXH2 1/20 0.66
APOBEC3G Q9HC16 1/20 0.66
NPC1 O15118 2/20 0.50
ADAM17 P78536 1/20 0.50
CPA1 P15085 3/20 0.43
ALDH1A1 P00352 4/20 0.43
SERPINH1 P50454 2/20 0.43
HSP90AA1 P07900 1/20 0.43
AGTR1 P30556 1/20 0.43
ATM Q13315 1/20 0.43
CNR1 P21554 5/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL1036342 1.00 MAPK1 (0.66) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7254921 0.84 NPSR1 (0.50) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL28551820 0.83 MAPK1 (0.65) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7258520 0.80 MAPT (0.54) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7606406 0.80 MAPT (0.47) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7606395 0.79 MAPT (0.52) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL9202581 0.79 NPC1 (0.56) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7254995 0.78 MAPT (0.45) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7255304 0.78 MAPK1 (0.51) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL29045032 0.78 MAPT (0.66) MAPK1MAPTNPSR1TDP1KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008013427-A1 ORGANIC TFTS AND METHOD FOR FABRICATING THE SAME LG CHEM, LTD. (KR) 2008-01-31 WO claimed
EP-4392495-A1 PHASE-SEPARATED ANTIMICROBIAL COATINGS, AND METHODS OF MAKING AND USING THE SAME HRL Laboratories, LLC (US) 2024-07-03 EP disclosed
WO-2023149947-A1 SENSORS FOR ANTIMICROBIAL BIPHASIC POLYMERS, AND SYSTEMS AND METHODS INCORPORATING THE SAME HRL LABORATORIES, LLC (US) 2023-08-10 WO disclosed
WO-2023149934-A1 FORMULAS AND METHODS FOR MAKING SHELF-STABLE ANTIMICROBIAL BIPHASIC POLYMERS HRL LABORATORIES, LLC (US) 2023-08-10 WO disclosed
WO-2023113919-A1 METHODS FOR REPLENISHMENT OF ANTIMICROBIAL BIPHASIC POLYMERS HRL LABORATORIES, LLC (US) 2023-06-22 WO disclosed
WO-2023027805-A1 PHASE-SEPARATED ANTIMICROBIAL COATINGS, AND METHODS OF MAKING AND USING THE SAME HRL LABORATORIES, LLC (US) 2023-03-02 WO disclosed
EP-3746509-A1 BUGPHOBIC AND ICEPHOBIC COMPOSITIONS WITH FLUID ADDITIVES HRL Laboratories, LLC (US) 2020-12-09 EP disclosed
EP-3645655-A1 POLYMER LIQUID COMPOSITES FOR IMPROVED ANTI-FOULING PERFORMANCE HRL Laboratories, LLC (US) 2020-05-06 EP disclosed
WO-2019152081-A1 BUGPHOBIC AND ICEPHOBIC COMPOSITIONS WITH FLUID ADDITIVES HRL LABORATORIES, LLC (US) 2019-08-08 WO disclosed
WO-2019005272-A1 POLYMER–LIQUID COMPOSITES FOR IMPROVED ANTI-FOULING PERFORMANCE HRL LABORATORIES, LLC (US) 2019-01-03 WO disclosed
EP-1648880-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN Euro-Celtique S.A. (LU) 2006-04-26 EP disclosed
WO-2005012287-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-02-10 WO disclosed
EP-1487829-A1 THIADIAZOLYLPIPERAZINE DERIVATIVES USEFUL FOR TREATING OR PREVENTING PAIN Euro-Celtique S.A. (LU) 2004-12-22 EP disclosed
WO-2004011441-A1 PYRIDAZINYLPIPERAZINE DERIVATIVES FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2004-02-05 WO disclosed
WO-2003074520-A1 THIADIAZOLYLPIPERAZINE DERIVATIVES USEFUL FOR TREATING OR PREVENTING PAIN EURO-CELTIQUE, S.A. (LU) 2003-09-12 WO disclosed
EP-0651761-A1 METHOD FOR MODIFICATION OF RECOMBINANT POLYPEPTIDES BIONEBRASKA, INC. (US) 1995-05-10 EP disclosed
WO-1994001451-A2 METHOD FOR MODIFICATION OF RECOMBINANT POLYPEPTIDES BIONEBRASKA, INC. (US) 1994-01-20 WO disclosed
EP-0222889-A4 CYTIDINE ANALOGS. INTEGRATED GENETICS INC (US) 1988-09-28 EP disclosed
EP-0222889-A1 CYTIDINE ANALOGS. INTEGRATED GENETICS INC (US) 1987-05-27 EP disclosed
WO-1986006726-A1 CYTIDINE ANALOGS INTEGRATED GENETICS, INC. (US) 1986-11-20 WO disclosed