SCHEMBL9531382

SCHEMBL9531382

C=CC(O)n1ccnc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
CYP2C19 P33261 1/20 0.40
TYMP P19971 3/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
Metronidazole SCHEMBL9833775 0.80 LMNA (0.61) KMT2ALMNATHRBCA12CA1
SCHEMBL28818918 0.78 KMT2A (0.48) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL2360743 0.74 KMT2A (0.43) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL16896833 0.74 LMNA (0.33) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL296106 0.73 LMNA (0.48) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL27795012 0.73 KMT2A (0.44) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL11805067 0.73 LMNA (0.37) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL3835020 0.71 LMNA (0.43) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL3937885 0.71 KMT2A (0.37) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL10400098 0.71 KMT2A (0.45) KMT2ALMNATHRBCYP2C19TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325513-B1 PROCESS FOR THE PREPARATION OF 1-HYDROXYALKYL-2-METHYL-5-NITRO-IMIDAZOLES RHONE-POULENC SANTE (FR) 1993-04-07 EP claimed
EP-0324691-B1 PROCESS FOR THE PREPARATION OF 1-HYDROXYALKYL-5-NITRO-IMIDAZOLES RHONE-POULENC SANTE (FR) 1991-12-27 EP claimed
US-4925951-A Process for preparing 1-hydroxyalkyl-2-methyl-5-nitroimidazoles RHONE-POULENC SANTE (FR) 1990-05-15 US claimed
US-4925952-A Process for preparing 1-hydroxyalkyl-5-nitroimidazoles RHONE-POULENC SANTE (FR) 1990-05-15 US claimed
JP-2000766-A None JP disclosed
CN-106977501-A A kind of hypoxemia activation prodrug based on the alkylol of 2 nitroimidazole 1 华东师范大学 2017-07-25 CN disclosed
CN-1023318-C Process for preparing 1-hydroxyalkyl-5-nitro imidazoles RHONE POULENC SANTE (FR) 1993-12-29 CN disclosed
CN-1023220-C Process for preparing 1-hydroxyalkyl-2-methyl-5-nitro imidazoles RHONE POULENC SANTE (FR) 1993-12-22 CN disclosed
US-5023361-A Process for preparing hydroxyalkylating agents, the agents so obtained, and their use RHONE-POULENC SANTE (FR) 1991-06-11 US disclosed
US-4925950-A Process for preparing 1-hydroxyalkyl-5-nitroimidazole RHONE-POULENC SANTE (FR) 1990-05-15 US disclosed
US-4925951-A Process for preparing 1-hydroxyalkyl-2-methyl-5-nitroimidazoles RHONE-POULENC SANTE (FR) 1990-05-15 US disclosed
US-4925951-A Process for preparing 1-hydroxyalkyl-2-methyl-5-nitroimidazoles RHONE-POULENC SANTE (FR) 1990-05-15 US disclosed
US-4925952-A Process for preparing 1-hydroxyalkyl-5-nitroimidazoles RHONE-POULENC SANTE (FR) 1990-05-15 US disclosed
US-4925952-A Process for preparing 1-hydroxyalkyl-5-nitroimidazoles RHONE-POULENC SANTE (FR) 1990-05-15 US disclosed
JP-H02766-A PREPARATION OF HYDROXYALKYLATION AGENT, HYDROXYLKYLATION AGENT OBTAINED AND METHOD FOR USING IT RHONE POULENC SANTE 1990-01-05 JP disclosed