SCHEMBL4944490

SCHEMBL4944490

O=[N+]([O-])c1ccc(C=Cc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPK1 P28482 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
MITF O75030 2/20 0.56
ALDH1A1 P00352 5/20 0.52
PKM P14618 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
AKR1C3 P42330 1/20 0.50
IDE P14735 1/20 0.50
HPGD P15428 1/20 0.49
NTSR1 P30989 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
SLC6A9 P48067 2/20 0.47
SLC6A5 Q9Y345 2/20 0.47

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
SCHEMBL11155782 0.99 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL11155777 0.99 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL4940911 0.89 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL9647832 0.86 MITF (0.70) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL85548 0.77 AKR1C3 (0.71) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL4317601 0.77 MAPT (0.62) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL13767769 0.77 ALDH1A1 (0.60) MAPTSMN1; SMN2KMT2AMAPK1TDP1
SCHEMBL3248725 0.76 NFE2L2 (0.61) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL3248727 0.76 NFE2L2 (0.61) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL1405731 0.76 PTGS2 (0.58) MAPTSMN1; SMN2MEN1KMT2AMAPK1

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-20080085455-A1 Methods for storing holographic data and storage media derived therefrom GENERAL ELECTRIC COMPANY (US) 2008-04-10 US disclosed