SCHEMBL16656172

SCHEMBL16656172

CN=C1c2cc([N+](=O)[O-])cc(-c3ccc(C)cc3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HKDC1 Q2TB90 1/20 0.39
HPRT1 P00492 2/20 0.39
TSHR P16473 3/20 0.38
MITF O75030 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL2333468 0.78 ACHE (0.55) HSP90AA1MAPTALDH1A1MEN1KMT2A
SCHEMBL16656170 0.78 HSP90AA1 (0.64) HSP90AA1MAPTALDH1A1MEN1KMT2A
SCHEMBL16601627 0.78 HSP90AA1 (0.64) HSP90AA1MAPTALDH1A1MEN1KMT2A
SCHEMBL12396376 0.77 HSP90AA1 (0.45) HSP90AA1MAPTALDH1A1MEN1KMT2A
SCHEMBL16601751 0.73 HSP90AA1 (0.47) HSP90AA1MAPTALDH1A1MEN1KMT2A
SCHEMBL28366256 0.72 ACHE (0.57) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL16601760 0.71 MEN1 (0.39) HSP90AA1MAPTALDH1A1MEN1KMT2A
SCHEMBL17208866 0.71 HSP90AA1 (0.50) HSP90AA1MAPTALDH1A1MEN1KMT2A
SCHEMBL14389444 0.70 HSP90AA1 (0.53) HSP90AA1MAPTALDH1A1MEN1KMT2A
SCHEMBL16601759 0.69 HSP90AA1 (0.43) HSP90AA1MAPTALDH1A1MEN1KMT2A

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