SCHEMBL3469591

SCHEMBL3469591

Cc1nc(CCO)c([N+](=O)[O-])[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3986231 0.90 MAPT (0.47) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL8663859 0.85 MAPT (0.47) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL8803147 0.84 MAPT (0.46) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL8594839 0.82 ALDH1A1 (0.46) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL4269080 0.82 MAPT (0.49) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL3984409 0.81 GAA (0.41) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL31085369 0.81 MAPT (0.35) MAPTALDH1A1GAATSHRPKM
SCHEMBL7801786 0.79 ALDH1A1 (0.45) MAPTALDH1A1GAAMDM2SMN1; SMN2
Hydrochloric Acid SCHEMBL4618823 0.79 MAPT (0.47) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL9542124 0.78 MAPT (0.42) MAPTALDH1A1GAAMDM2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969972-B1 METHODS OF INHIBITING FOULING IN LIQUID SYSTEMS ECOLAB USA INC (US) 2020-03-25 EP claimed
WO-2009058387-A2 OLIGOMER-NITROIMIDAZOLE ANTI-INFECTIVE CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-05-07 WO claimed
US-20050145565-A1 Method for preventing the uncontrolled growth of microorganisms BETA TEC HOPFENPRODUKTE GMBH (DE) 2005-07-07 US claimed
EP-1480914-A1 METHOD FOR PREVENTING THE UNCONTROLLED GROWTH OF MICROORGANISMS IN WATER Beta Tec Hopfenprodukte Gmbh (DE) 2004-12-01 EP claimed
WO-2003074431-A1 METHOD FOR PREVENTING THE UNCONTROLLED GROWTH OF MICROORGANISMS IN WATER BETA TEC HOPFENPRODUKTE GMBH (DE) 2003-09-12 WO claimed
WO-2002005637-A1 COMPOSITIONS CONTAINING HOPS EXTRACT AND THEIR USE IN WATER SYSTEMS AND PROCESS STREAMS TO CONTROL BIOLOGICAL FOULING ONDEO NALCO COMPANY (US) 2002-01-24 WO claimed
EP-0970065-A4 ANTIBIOTICS AND PROCESS FOR PREPARATION TRUETT WILLIAM L (US) 2001-03-07 EP claimed
WO-2001011954-A2 COMPOSITION AND METHOD FOR CONTROLLING BIOLOGICAL GROWTH USING STABILIZED SODIUM HYPOBROMITE IN SYNERGISTIC COMBINATIONS NALCO CHEMICAL COMPANY (US) 2001-02-22 WO claimed
EP-0970065-A1 ANTIBIOTICS AND PROCESS FOR PREPARATION Truett, William L. (US) 2000-01-12 EP claimed
WO-1999028308-A1 ANTIBIOTICS AND PROCESS FOR PREPARATION TRUETT WILLIAM L (US) 1999-06-10 WO claimed
EP-0150407-B1 PROCESS FOR THE PREPARATION OF 1(2-HYDROXYETHYL)-2-METHYL-5-NITROIMIDAZOLE OF HIGH PURITY BASF Aktiengesellschaft (DE) 1988-05-11 EP claimed
EP-0150407-A1 Process for the preparation of 1(2-hydroxyethyl)-2-methyl-5-nitroimidazole of high purity BASF Aktiengesellschaft (DE) 1985-08-07 EP claimed
EP-4167964-A1 VAGINAL GEL National Medical Supply, LLC (US) 2023-04-26 EP disclosed
WO-2022123305-A1 COMPOSITIONS COMPRISING METRONIDAZOLE FOR TREATMENT OF DIABETIC FOOT ULCERS AND VENOUS ULCERS S.L.A. PHARMA AG (CH) 2022-06-16 WO disclosed
WO-2021257179-A1 VAGINAL GEL National Medical Supply, LLC (US) 2021-12-23 WO disclosed
EP-3827069-A1 RINSE AID FORMULATION FOR CLEANING AUTOMOTIVE PARTS Ecolab USA Inc. (US) 2021-06-02 EP disclosed
EP-0150407-A1 Process for the preparation of 1(2-hydroxyethyl)-2-methyl-5-nitroimidazole of high purity BASF Aktiengesellschaft (DE) 1985-08-07 EP disclosed
EP-0106926-A1 Nitroimidazole compounds and compositions useful in the treatment of acne DIOMED DEVELOPMENTS LIMITED (GB) 1984-05-02 EP disclosed
US-4155991-A DRUG DISSOLVED OR SUSPENDED IN CROSSLINKED POLYDIMETHYL SILOXANE SCHERING AKTIENGESELLSCHAFT (DE) 1979-05-22 US disclosed
US-4012496-A CONTAINING MEDICINAL AGENTS SCHERING AKTIENGESELLSCHAFT (DT) 1977-03-15 US disclosed