SCHEMBL10420573

SCHEMBL10420573

CC(=O)OCc1[nH]c(C)nc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 5/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL16324473 0.80 L3MBTL1 (0.35) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL4575373 0.76 MAPT (0.37) MAPTALDH1A1POLBHTTKDM4E
SCHEMBL4576154 0.73 ALDH1A1 (0.39) MAPTKMT2AALDH1A1POLBHTT
SCHEMBL11982518 0.70 KMT2A (0.50) MAPTKMT2AALDH1A1POLBHTT
SCHEMBL5289525 0.70 PTPRA (0.37) MAPTKMT2AALDH1A1
SCHEMBL3977606 0.68 MAPT (0.47) MAPTALDH1A1POLBHTTKDM4E
SCHEMBL4000254 0.66 MAPT (0.40) MAPTKMT2AALDH1A1POLBHTT
SCHEMBL12824763 0.66 KMT2A (0.40) MAPTKMT2AALDH1A1POLBHTT
SCHEMBL10102749 0.66 KMT2A (0.40) MAPTKMT2AALDH1A1POLBHTT
SCHEMBL11867402 0.66 MAPT (0.43) MAPTKMT2AALDH1A1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4925950-A Process for preparing 1-hydroxyalkyl-5-nitroimidazole RHONE-POULENC SANTE (FR) 1990-05-15 US disclosed