SCHEMBL11543737

SCHEMBL11543737

COc1cc([N+](=O)[O-])c2ncccc2c1N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
ALDH1A1 P00352 11/20 0.47
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
L3MBTL1 Q9Y468 7/20 0.47
LMNA P02545 7/20 0.47
KDM4E B2RXH2 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CTSB P07858 3/20 0.47
GAA P10253 3/20 0.47
IDO1 P14902 2/20 0.47
TDO2 P48775 2/20 0.47
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 4/20 0.44
HTT P42858 4/20 0.44
HSP90AA1 P07900 3/20 0.44
NPC1 O15118 2/20 0.44
OPRK1 P41145 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL1377784 0.83 MAPT (0.50) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8901804 0.83 MEN1 (0.54) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10944706 0.82 MAPT (0.59) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5186834 0.82 CASP6 (0.60) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10945384 0.82 G6PD (0.60) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4728660 0.80 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10943147 0.79 CTSB (0.47) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2469901 0.78 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11887409 0.77 MAPT (0.64) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11544229 0.77 NSD2 (0.65) MAPTALDH1A1MEN1KMT2AKDM4E

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-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 US disclosed