SCHEMBL28698076

SCHEMBL28698076

O=[N+]([O-])c1ccc2nn(-c3ccnc(Cl)c3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NFKB1 P19838 1/20 0.49
CASP3 P42574 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
FGFR1 P11362 1/20 0.37
CYP3A4 P08684 2/20 0.37
NAMPT P43490 1/20 0.37
XDH P47989 1/20 0.37
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL17199295 0.82 MEN1 (0.60) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL13492787 0.79 MAPT (0.79) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL23012896 0.78 ESR2 (0.39) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL28194693 0.76 MAPT (0.80) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29479675 0.76 ESR2 (0.42) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL17199300 0.73 MEN1 (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL17199195 0.73 KEAP1 (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4014022 0.72 ROCK1 (0.46) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11010720 0.72 MEN1 (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11013407 0.72 MEN1 (0.47) KMT2AMEN1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 CN disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 CN disclosed