SCHEMBL7264357

SCHEMBL7264357

O=C(O)c1ccc2nc(-c3ccccc3Oc3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Oc3ccc([N+](=O)[O-])cc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HTT P42858 2/20 0.52
PKM P14618 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CHEK2 O96017 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
EIF4A1 P60842 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SRD5A2 P31213 1/20 0.49
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL7269179 0.90 MEN1 (0.50) MEN1KMT2ARAB9AKDM4EHTT
SCHEMBL7270532 0.84 MEN1 (0.56) MEN1KMT2ARAB9AKDM4EHTT
SCHEMBL7264361 0.83 CHEK2 (0.65) MEN1KMT2ARAB9AKDM4ECHEK2
SCHEMBL7269166 0.80 ALDH1A1 (0.57) MEN1KMT2ARAB9AKDM4EHTT
SCHEMBL15666198 0.79 ALDH1A1 (0.74) MEN1KMT2ARAB9AKDM4EHTT
SCHEMBL9788776 0.78 DHODH (0.62) MAPTEIF4A1
SCHEMBL7269138 0.77 ALDH1A1 (0.66) MEN1KMT2ARAB9AKDM4EHTT
SCHEMBL7270553 0.76 KMT2A (0.54) MEN1KMT2ARAB9AKDM4EHTT
SCHEMBL9087468 0.74 HSPB1 (0.59) MEN1KMT2ARAB9AKDM4EHTT
SCHEMBL7270525 0.73 ALDH1A1 (0.63) MEN1KMT2ARAB9AKDM4EHTT

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