SCHEMBL7269179

SCHEMBL7269179

O=C(O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3Oc3ccccc3)c(-c3ccc([N+](=O)[O-])cc3Oc3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 3/20 0.50
PIN1 Q13526 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
EIF4A1 P60842 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
CHEK2 O96017 2/20 0.47
CYP1A2 P05177 2/20 0.47
LPAR1 Q92633 1/20 0.47
LPAR5 Q9H1C0 1/20 0.47
LPAR3 Q9UBY5 1/20 0.47
MAPT P10636 3/20 0.47

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
SCHEMBL7264357 0.90 MEN1 (0.52) MEN1KMT2AKDM4EPIN1RAB9A
SCHEMBL7270553 0.81 KMT2A (0.54) MEN1KMT2AKDM4EPIN1RAB9A
SCHEMBL7264361 0.79 CHEK2 (0.65) MEN1KMT2AKDM4EPIN1RAB9A
SCHEMBL15666198 0.77 ALDH1A1 (0.74) MEN1KMT2AKDM4ERAB9APKM
SCHEMBL7269166 0.77 ALDH1A1 (0.57) MEN1KMT2AKDM4ERAB9APKM
SCHEMBL7270532 0.76 MEN1 (0.56) MEN1KMT2AKDM4EPIN1RAB9A
SCHEMBL7269138 0.76 ALDH1A1 (0.66) MEN1KMT2AKDM4ERAB9APKM
SCHEMBL6275897 0.73 ALDH1A1 (0.75) MEN1KMT2AKDM4ERAB9APKM
SCHEMBL5752469 0.73 MAPT (0.54) MEN1KMT2AKDM4EEIF4A1ALDH1A1
SCHEMBL15391420 0.72 CYP19A1 (0.57) MEN1KMT2AKDM4ERAB9AALDH1A1

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