SCHEMBL9531393

SCHEMBL9531393

O=[N+]([O-])c1nccn1CC=CO

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 3/20 0.48
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
OPRK1 P41145 1/20 0.45
TYMP P19971 3/20 0.45
NOS1 P29475 1/20 0.36
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 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
SCHEMBL7803810 0.81 KMT2A (0.51) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL20350454 0.80 CA12 (0.49) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL11360428 0.80 CA12 (0.49) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL6131654 0.79 KMT2A (0.50) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL9406399 0.78 LMNA (0.44) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL8530813 0.78 LMNA (0.59) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL29579255 0.78 CA12 (0.53) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL11390072 0.77 CA12 (0.64) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL920293 0.75 LMNA (0.60) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL9272320 0.74 KMT2A (0.54) LMNATHRBCYP2C19KMT2ACA12

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 14 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-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