SCHEMBL28397382

SCHEMBL28397382

O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Nc2ccc3c(c2)C(=O)c2cc(Nc4ccc(C(=O)Nc5ccc([N+](=O)[O-])cc5)cc4)ccc2C3=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.67
CASP2 P42575 1/20 0.67
CASP7 P55210 1/20 0.67
CASP6 P55212 1/20 0.67
CASP8 Q14790 1/20 0.67
MAPT P10636 5/20 0.64
POLB P06746 3/20 0.64
MITF O75030 2/20 0.64
MAPK1 P28482 2/20 0.64
PSMB5 P28074 1/20 0.64
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
HTT P42858 1/20 0.56
ERO1A Q96HE7 1/20 0.56
ATM Q13315 1/20 0.55
MMP9 P14780 1/20 0.54
ACE2 Q9BYF1 1/20 0.53
LMNA P02545 2/20 0.52

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
SCHEMBL28401107 0.94 MAPT (0.62) CASP3CASP2CASP7CASP6CASP8
SCHEMBL28396223 0.89 CASP3 (0.65) CASP3CASP2CASP7CASP6CASP8
SCHEMBL29664268 0.86 HPGD (0.58) CASP3CASP2CASP7CASP6CASP8
SCHEMBL28394913 0.86 HPGD (0.58) CASP3CASP2CASP7CASP6CASP8
SCHEMBL23898948 0.82 KMT2A (0.83) MAPTPOLBMITFMAPK1MEN1
SCHEMBL9134339 0.82 KMT2A (0.83) MAPTPOLBMITFMAPK1MEN1
SCHEMBL8572381 0.82 KMT2A (0.83) MAPTPOLBMITFMAPK1MEN1
SCHEMBL28888814 0.81 POLB (0.63) MAPTPOLBMEN1KMT2ARAB9A
SCHEMBL12218318 0.81 MEN1 (0.82) MAPTPOLBMITFMAPK1PSMB5
SCHEMBL12857744 0.80 CASP3 (1.00) CASP3CASP2CASP7CASP6CASP8

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
CN-111040159-A High-barrier polyimide containing high-planarity structure and preparation method and application thereof 湖南工业大学 2020-04-21 CN disclosed