SCHEMBL23715733

SCHEMBL23715733

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
KMT2A Q03164 7/20 0.51
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 5/20 0.51
KDM4E B2RXH2 4/20 0.51
CTSB P07858 4/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 2/20 0.51
ALOX12 P18054 2/20 0.51
BRD4 O60885 1/20 0.51
HSP90AA1 P07900 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CHRM3 P20309 1/20 0.51
HTR2C P28335 1/20 0.51

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) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL23698721 0.87 MAPT (0.54) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL23698646 0.86 MAPT (0.53) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL23698741 0.86 MAPT (0.53) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL23698707 0.86 KDM4E (0.65) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL21816898 0.86 MAPT (0.56) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL23698642 0.86 MAPT (0.44) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL21816884 0.86 CTSB (0.47) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL31229323 0.86 MAPT (0.44) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL23698666 0.85 MAPT (0.52) MAPTKMT2AALDH1A1MEN1KDM4E

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