SCHEMBL16601765

SCHEMBL16601765

O=[N+]([O-])c1ccc2c(c1)/C(=N\CCCCCCCCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.52
HPRT1 P00492 1/20 0.49
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
CYP1A2 P05177 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GPR35 Q9HC97 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL16601627 0.77 HSP90AA1 (0.64) HSP90AA1HPRT1MAPTMAPK1SMN1; SMN2
SCHEMBL16656170 0.77 HSP90AA1 (0.64) HSP90AA1HPRT1MAPTMAPK1SMN1; SMN2
SCHEMBL16601756 0.76 HSP90AA1 (0.60) HSP90AA1HPRT1MAPTMAPK1SMN1; SMN2
SCHEMBL11781032 0.75 HSP90AA1 (0.72) HSP90AA1HPRT1MAPTMAPK1SMN1; SMN2
SCHEMBL11781023 0.75 HSP90AA1 (0.72) HSP90AA1HPRT1MAPTMAPK1SMN1; SMN2
SCHEMBL16601750 0.74 HSP90AA1 (0.53) HSP90AA1HPRT1MAPTMAPK1SMN1; SMN2
SCHEMBL15764222 0.74 HSP90AA1 (0.55) HSP90AA1HPRT1MAPTMAPK1SMN1; SMN2
SCHEMBL16601779 0.74 HSP90AA1 (0.55) HSP90AA1HPRT1MAPTMAPK1SMN1; SMN2
SCHEMBL16656204 0.73 HSP90AA1 (0.66) HSP90AA1HPRT1MAPTMAPK1SMN1; SMN2
SCHEMBL11694416 0.73 HSP90AA1 (0.76) HSP90AA1HPRT1MAPTMAPK1SMN1; SMN2

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