SCHEMBL23698641

SCHEMBL23698641

CN(CCCC(=O)O)C(=O)OCOc1ccc([N+](=O)[O-])c2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.43
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 7/20 0.43
CTSB P07858 5/20 0.43
MEN1 O00255 5/20 0.43
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
ALOX12 P18054 2/20 0.43
BRD4 O60885 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43

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
SCHEMBL23698735 0.88 MAPT (0.47) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL21816941 0.88 MAPT (0.43) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL23698737 0.87 MAPT (0.42) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL23698642 0.86 MAPT (0.44) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL31229323 0.86 MAPT (0.44) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL23698779 0.85 MAPT (0.49) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL23715733 0.85 MAPT (0.51) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL21816840 0.83 MAPT (0.51) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL21816884 0.82 CTSB (0.47) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL23698661 0.81 MAPT (0.46) MAPTALDH1A1L3MBTL1MAPK1KMT2A

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
EP-3858814-A1 NITROXOLINE PRODRUG AND USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2021-08-04 EP disclosed