SCHEMBL28068281

SCHEMBL28068281

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc1-2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.70
KMT2A Q03164 8/20 0.70
MAPT P10636 5/20 0.60
APEX1 P27695 1/20 0.60
NPC1 O15118 3/20 0.59
MAPK1 P28482 3/20 0.59
RAB9A P51151 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MYOC Q99972 1/20 0.59
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CASP3 P42574 2/20 0.57
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA9 Q16790 3/20 0.55
CASP2 P42575 1/20 0.54
CASP7 P55210 1/20 0.54
CASP6 P55212 1/20 0.54
CASP8 Q14790 1/20 0.54

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
SCHEMBL24236984 0.84 KDM4E (0.71) MEN1KMT2AMAPTAPEX1NPC1
SCHEMBL1177730 0.83 MEN1 (1.00) MEN1KMT2AMAPTAPEX1NPC1
SCHEMBL6302157 0.83 MEN1 (1.00) MEN1KMT2AMAPTAPEX1NPC1
SCHEMBL6295847 0.82 MEN1 (0.60) MEN1KMT2AMAPTAPEX1NPC1
SCHEMBL28396223 0.79 CASP3 (0.65) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL6302417 0.79 MEN1 (0.89) MEN1KMT2AMAPTAPEX1NPC1
SCHEMBL28397382 0.78 CASP3 (0.67) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL28394913 0.78 HPGD (0.58) MEN1KMT2AMAPTCASP3CA1
SCHEMBL29664268 0.78 HPGD (0.58) MEN1KMT2AMAPTCASP3CA1
SCHEMBL28062212 0.78 RAB9A (0.66) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109456215-A Contain fluorenes or Fluorenone structure function diamine monomer and its synthetic method and application with high flatness 湖南工业大学 2019-03-12 CN disclosed
CN-105693539-B Diamine monomer containing fluorene or fluorenone structure and having high planarity as well as synthesis method and application thereof 湖南工业大学 2019-01-25 CN disclosed
CN-105693539-A Diamine monomer containing fluorene or fluorenone structure and having high planarity as well as synthesis method and application thereof 湖南工业大学 2016-06-22 CN disclosed