SCHEMBL16656204

SCHEMBL16656204

O=[N+]([O-])c1ccc2c(c1)C(=Nc1ccc(O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.66
HPRT1 P00492 1/20 0.51
MAPT P10636 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MCL1 Q07820 1/20 0.43
GPR35 Q9HC97 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
MPI P34949 1/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK5 Q00535 1/20 0.40

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
SCHEMBL11781023 0.92 HSP90AA1 (0.72) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL11781032 0.92 HSP90AA1 (0.72) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL11784857 0.88 HSP90AA1 (0.66) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL11784863 0.88 HSP90AA1 (0.66) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL11779478 0.88 HSP90AA1 (0.66) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL11781076 0.88 HSP90AA1 (0.66) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL11779474 0.88 HSP90AA1 (0.66) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL11781071 0.88 HSP90AA1 (0.66) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL11694416 0.87 HSP90AA1 (0.76) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL11694409 0.87 HSP90AA1 (0.76) HSP90AA1HPRT1MAPTMEN1KMT2A

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-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed