SCHEMBL11548951

SCHEMBL11548951

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.44
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
AGTR1 P30556 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 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
SCHEMBL11543102 0.79 ADORA3 (0.48) ADORA3CYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL31410645 0.78 MAPT (0.60) CYP1A2GAAMAPTSMN1; SMN2KMT2A
SCHEMBL10622390 0.77 RELA (0.52) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL12120523 0.77 TXNRD1 (0.47) MAPTKMT2AMEN1NPSR1MAPK1
SCHEMBL11072978 0.76 MERTK (0.55) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11545271 0.76 MAPT (0.49) GAAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4728549 0.75 RELA (0.43) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11544441 0.73 KMT2A (0.51) GAAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL13439484 0.72 CYP1A2 (0.50) ADORA3CYP1A2SMN1; SMN2LMNAHTT
SCHEMBL11545397 0.72 XDH (0.45) MAPTSMN1; SMN2KMT2ANPSR1MAPK1

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