SCHEMBL4301706

SCHEMBL4301706

O=C(O)c1ccccc1-c1nc2c([N+](=O)[O-])cccc2s1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
DDX3X O00571 1/20 0.49
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
EIF4E P06730 13/20 0.44
ALDH1A1 P00352 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL12479627 0.80 MEN1 (0.52) KDM4ENPC1RAB9AALDH1A1MGAM
SCHEMBL4306213 0.77 KDM4E (0.45) KDM4ETSHRNPC1RAB9AALDH1A1
SCHEMBL7864694 0.76 MGAM (0.40) NPC1RAB9AALDH1A1MGAMGAA
SCHEMBL11008435 0.75 KDM4E (0.58) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL698939 0.74 MAPT (0.64) KDM4ETSHRNPC1RAB9AALDH1A1
SCHEMBL11009126 0.74 SOS1 (0.47) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL11366878 0.73 MGAM (0.40) TSHRNPC1RAB9AALDH1A1MGAM
SCHEMBL4439669 0.73 TSHR (0.59) KDM4EDDX3XTSHREIF4EALDH1A1
SCHEMBL11035079 0.73 MEN1 (0.43) KDM4ETSHRNPC1RAB9AEIF4E
SCHEMBL27784909 0.73 MAPT (0.63) KDM4ENPC1RAB9AALDH1A1GAA

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-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