SCHEMBL4298752

SCHEMBL4298752

O=C(O)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 6/20 0.60
ALDH1A1 P00352 5/20 0.60
TDP1 Q9NUW8 4/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
POLB P06746 2/20 0.60
GAA P10253 2/20 0.60
HPGD P15428 2/20 0.60
MITF O75030 1/20 0.60
RECQL P46063 1/20 0.60
GFER P55789 1/20 0.60
PAX8 Q06710 1/20 0.60
KLF5 Q13887 1/20 0.60
APP P05067 1/20 0.59

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
SCHEMBL2633250 0.92 KDM4E (0.68) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL13932580 0.90 DYRK1A (0.57) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL1996999 0.89 APP (0.73) SMN1; SMN2KDM4EMAPTALDH1A1TDP1
SCHEMBL2136576 0.86 APP (0.69) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL2117508 0.85 MMP13 (0.60) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL3196637 0.84 APP (0.62) SMN1; SMN2KDM4ELMNAMAPTALDH1A1
SCHEMBL10032126 0.84 MAPT (0.70) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL4301852 0.84 KMT2A (0.54) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL2628260 0.83 APP (0.73) SMN1; SMN2KDM4EMAPTALDH1A1TDP1
SCHEMBL9797268 0.81 KDM4E (0.88) SMN1; SMN2KDM4ENFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495106-B1 O-aminophenol-containing AB-monomer for heterocyclic rigid-rod polymers UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-02-24 US claimed
US-7495106-B1 O-aminophenol-containing AB-monomer for heterocyclic rigid-rod polymers UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-02-24 US disclosed
US-7495106-B1 O-aminophenol-containing AB-monomer for heterocyclic rigid-rod polymers UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-02-24 US disclosed
US-7495106-B1 O-aminophenol-containing AB-monomer for heterocyclic rigid-rod polymers UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-02-24 US disclosed