SCHEMBL11545271

SCHEMBL11545271

COc1cc([N+](=O)[O-])c2nc(N)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
G6PD P11413 1/20 0.49
PKM P14618 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
PLAU P00749 1/20 0.48
NCF1 P14598 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
GSK3B P49841 1/20 0.43
HASPIN Q8TF76 1/20 0.43
MERTK Q12866 1/20 0.42
CYP19A1 P11511 1/20 0.42
PIM1 P11309 3/20 0.41
PIM3 Q86V86 3/20 0.41

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
SCHEMBL11072978 0.85 MERTK (0.55) MAPTKMT2AMAPK1MEN1NPSR1
SCHEMBL10622390 0.84 RELA (0.52) MAPTKMT2AMAPK1MEN1NPSR1
SCHEMBL12120523 0.84 TXNRD1 (0.47) MAPTKMT2AMAPK1MEN1NPSR1
SCHEMBL4728549 0.81 RELA (0.43) MAPTKMT2AMAPK1MEN1NPSR1
SCHEMBL11544441 0.79 KMT2A (0.51) MAPTKMT2AMAPK1MEN1NPSR1
SCHEMBL11545397 0.78 XDH (0.45) MAPTKMT2AMAPK1NPSR1ALDH1A1
SCHEMBL1378967 0.77 HSP90AA1 (0.62) MAPTKMT2AMAPK1MEN1NPSR1
SCHEMBL11548951 0.76 ADORA3 (0.44) MAPTKMT2AMAPK1MEN1NPSR1
SCHEMBL4728487 0.76 MAPT (0.38) MAPTKMT2AMAPK1MEN1NPSR1
Hydrochloric Acid SCHEMBL11543518 0.74 MAPT (0.38) MAPTKMT2AMAPK1MEN1NPSR1

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