SCHEMBL9873776

SCHEMBL9873776

CC(=O)OCn1cnc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MITF O75030 1/20 0.41
HIF1A Q16665 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL1396121 0.81 ALDH1A1 (0.52) L3MBTL1ALDH1A1PKMTAAR1SMN1; SMN2
SCHEMBL19698979 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1PKMTAAR1SMN1; SMN2
SCHEMBL21198513 0.78 ALDH1A1 (0.47) L3MBTL1ALDH1A1PKMTAAR1SMN1; SMN2
SCHEMBL2976254 0.77 L3MBTL1 (0.50) L3MBTL1ALDH1A1PKMTAAR1SMN1; SMN2
SCHEMBL16246028 0.77 SMN1; SMN2 (0.64) L3MBTL1ALDH1A1PKMTAAR1SMN1; SMN2
SCHEMBL16367359 0.75 L3MBTL1 (0.43) L3MBTL1ALDH1A1PKMTAAR1SMN1; SMN2
SCHEMBL174157 0.75 ALDH1A1 (0.51) L3MBTL1ALDH1A1PKMTAAR1SMN1; SMN2
SCHEMBL9810683 0.75 L3MBTL1 (0.54) L3MBTL1ALDH1A1PKMTAAR1SMN1; SMN2
SCHEMBL9873423 0.75 ALDH1A1 (0.60) L3MBTL1ALDH1A1PKMMAPTHTT
SCHEMBL14696607 0.75 L3MBTL1 (0.53) L3MBTL1ALDH1A1PKMTAAR1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282941-A Imidazole compounds for the treatment of neurological disorders PFIZER (US) 2008-10-08 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-4925949-A Process for preparing 1-alkyl-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