SCHEMBL8664451

SCHEMBL8664451

O=C(NN=c1c(=O)c2ccccc2c1=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
MAPT P10636 5/20 0.62
POLB P06746 4/20 0.62
HTT P42858 3/20 0.62
DDX3X O00571 2/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
GAA P10253 3/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
BAZ1A Q9NRL2 2/20 0.50
LMNA P02545 2/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
BLM P54132 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL8665352 0.87 KMT2A (0.53) MEN1KMT2AMAPTPOLBHTT
SCHEMBL8667290 0.86 KMT2A (0.56) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL8667830 0.80 SENP6 (0.61) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL9004624 0.80 RAB9A (0.50) MEN1KMT2AMAPTPOLBGAA
SCHEMBL9004754 0.80 STING1 (0.50) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL9004666 0.80 KMT2A (0.52) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL9227877 0.80 DDX3X (0.58) MEN1KMT2AMAPTHTTDDX3X
Water SCHEMBL9571731 0.79 KMT2A (0.51) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL1047211 0.78 MEN1 (1.00) MEN1KMT2AMAPTPOLBHTT
SCHEMBL6129390 0.77 MEN1 (0.90) MEN1KMT2AMAPTPOLBHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646574-B1 Ketonic indane derivatives, their preparation and therapeutic application thereof INNOTHERA LAB SA (FR) 1998-12-09 EP disclosed
EP-0646574-A1 Ketonic indane derivatives, their preparation and therapeutic application thereof LABORATOIRE INNOTHERA Société Anonyme (FR) 1995-04-05 EP disclosed