SCHEMBL7264361

SCHEMBL7264361

O=C(O)c1ccc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.65
ALDH1A1 P00352 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
MAPT P10636 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
SRD5A2 P31213 2/20 0.58
KDM4E B2RXH2 3/20 0.57
GAA P10253 2/20 0.57
HPGD P15428 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CDH1 P12830 1/20 0.56
APC P25054 1/20 0.56
CTNNB1 P35222 1/20 0.56
TCF7L2 Q9NQB0 1/20 0.56

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
SCHEMBL7269138 0.92 ALDH1A1 (0.66) CHEK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL15666198 0.89 ALDH1A1 (0.74) CHEK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL6275897 0.84 ALDH1A1 (0.75) CHEK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7269166 0.83 ALDH1A1 (0.57) CHEK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7264357 0.83 MEN1 (0.52) CHEK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7270537 0.82 ALDH1A1 (0.64) CHEK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL28565012 0.80 SRD5A2 (0.82) CHEK2MEN1KMT2AMAPTSRD5A2
SCHEMBL7269179 0.79 MEN1 (0.50) CHEK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3919973 0.79 CHEK2 (0.84) CHEK2MEN1KMT2AMAPTSRD5A2
SCHEMBL6643380 0.79 CHEK2 (1.00) CHEK2MEN1KMT2AMAPTGAA

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-6552195-B1 Room temperature initiators for bismaleimide polymerization THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2003-04-22 US disclosed