SCHEMBL7470832

SCHEMBL7470832

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
PRKDC P78527 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NAMPT P43490 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL8016907 0.79
SCHEMBL7570150 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1650784 0.75 MAPT (0.44) ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL64072 0.74 CYP3A4 (0.33) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL28920099 0.74 ALDH1A1 (0.33) ALDH1A1CYP3A4KDM4EMAPTNAMPT
SCHEMBL9627673 0.72
SCHEMBL28013804 0.72 CYP3A4 (0.32) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL28013221 0.72 CYP3A4 (0.32) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL28819045 0.72 CYP3A4 (0.32) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL27960253 0.72 CYP3A4 (0.32) ALDH1A1CYP3A4KDM4EMAPTALOX15

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006463-B1 PROCESS FOR THE PRODUCTION OF 2-SUBSTITUTED 1-ALKYL-NITROIMIDAZOLES BASF Aktiengesellschaft (DE) 1981-11-25 EP claimed
US-4267349-A Process for the preparation of 2-substituted-alkyl-1-alkyl-nitroimidazoles BASF AKTIENGESELLSCHAFT (DE) 1981-05-12 US claimed
EP-0006463-A1 Process for the production of 2-substituted 1-alkyl-nitroimidazoles BASF Aktiengesellschaft (DE) 1980-01-09 EP claimed
CN-117736195-A Nitrofuran hydrazone naphthalimide compound, and preparation method and application thereof 西南大学 2024-03-22 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed
US-4920141-A MIXTURE OF WATER SOLUBLE SALT OF METRONIDAZOLE, DIMETRIDAZOLE, SECNIDAZOLE OR IPRONIDAZOLE AND GLUTARALDEHYDE; INDUSTRIAL WATER TREATMENT PETROLITE CORPORATION (US) 1990-04-24 US disclosed
US-4344956-A Oxotetrahydrothiophenes ERCOLI NICOLO 1982-08-17 US disclosed
EP-0006463-B1 PROCESS FOR THE PRODUCTION OF 2-SUBSTITUTED 1-ALKYL-NITROIMIDAZOLES BASF Aktiengesellschaft (DE) 1981-11-25 EP disclosed
US-4267349-A Process for the preparation of 2-substituted-alkyl-1-alkyl-nitroimidazoles BASF AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed
US-4232165-A 2-Substituted-1-alkyl-nitroimidazoles BASF AKTIENGESELLSCHAFT (DE) 1980-11-04 US disclosed
EP-0006463-A1 Process for the production of 2-substituted 1-alkyl-nitroimidazoles BASF Aktiengesellschaft (DE) 1980-01-09 EP disclosed
US-3987053-A ANTIMICROBIAL GRUPPO LEPETIT S.P.A. (IT) 1976-10-19 US disclosed
US-3954789-A 2-Nitroimidazole derivatives GRUPPO LEPETIT S.P.A. (IT) 1976-05-04 US disclosed