SCHEMBL11118915

SCHEMBL11118915

O=[C]CNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 4/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
DDX3X O00571 1/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
ALDH1A1 P00352 3/20 0.52
ALOX12 P18054 2/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL1631293 0.84 SMN1; SMN2 (0.53) SMN1; SMN2MAPTKMT2AMEN1DDX3X
SCHEMBL730213 0.83 MAPT (0.62) SMN1; SMN2MAPTKMT2AMEN1DDX3X
SCHEMBL29689011 0.82 KMT2A (0.61) SMN1; SMN2MAPTKMT2AMEN1DDX3X
SCHEMBL5880840 0.80 ALDH1A1 (0.56) SMN1; SMN2MAPTKMT2AMEN1DDX3X
SCHEMBL28211599 0.79 MAPT (0.57) SMN1; SMN2MAPTKMT2AMEN1DDX3X
SCHEMBL28807504 0.79 MAPT (0.62) SMN1; SMN2MAPTKMT2AMEN1DDX3X
SCHEMBL11124580 0.79 MAPT (0.71) SMN1; SMN2MAPTKMT2AMEN1POLB
SCHEMBL8975021 0.79 MAPT (0.57) SMN1; SMN2MAPTKMT2AMEN1DDX3X
SCHEMBL868793 0.79 KMT2A (0.55) SMN1; SMN2MAPTKMT2AMEN1DDX3X
SCHEMBL12932901 0.79 KMT2A (0.56) SMN1; SMN2MAPTKMT2AMEN1DDX3X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030846-B1 PHARMACOLOGICALLY ACTIVE PEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1984-05-09 EP disclosed
EP-0030846-A2 Pharmacologically active peptides, their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1981-06-24 EP disclosed
US-4251439-A ENKEPHALIN ANALOGS AS ANALGESICS ELI LILLY AND COMPANY (US) 1981-02-17 US disclosed