SCHEMBL16601756

SCHEMBL16601756

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.60
TSHR P16473 2/20 0.48
HPRT1 P00492 1/20 0.46
TTR P02766 1/20 0.40
MAPT P10636 6/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MPI P34949 2/20 0.39
PKM P14618 1/20 0.39
GALK1 P51570 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK5 Q00535 1/20 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
SCHEMBL11781032 0.87 HSP90AA1 (0.72) HSP90AA1TSHRHPRT1TTRMAPT
SCHEMBL11781023 0.87 HSP90AA1 (0.72) HSP90AA1TSHRHPRT1TTRMAPT
SCHEMBL16601757 0.86 HSP90AA1 (0.65) HSP90AA1HPRT1TTRMAPTKDM4E
SCHEMBL16601749 0.86 HSP90AA1 (0.62) HSP90AA1TSHRHPRT1TTRMAPT
SCHEMBL16656204 0.85 HSP90AA1 (0.66) HSP90AA1TSHRHPRT1TTRMAPT
SCHEMBL9274927 0.84 HSP90AA1 (0.63) HSP90AA1HPRT1TTRMAPTKDM4E
SCHEMBL11779478 0.82 HSP90AA1 (0.66) HSP90AA1TSHRHPRT1MAPTKDM4E
SCHEMBL11781071 0.82 HSP90AA1 (0.66) HSP90AA1TSHRHPRT1MAPTKDM4E
SCHEMBL11779474 0.82 HSP90AA1 (0.66) HSP90AA1TSHRHPRT1MAPTKDM4E
SCHEMBL11784863 0.82 HSP90AA1 (0.66) HSP90AA1HPRT1MAPTKDM4EMEN1

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
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed