SCHEMBL16601751

SCHEMBL16601751

O=[N+]([O-])c1cc2c(c(-c3ccc(CO)cc3)c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Nc1ccc(CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
MPI P34949 2/20 0.40
PKM P14618 1/20 0.40
GALK1 P51570 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
TTR P02766 3/20 0.40
HKDC1 Q2TB90 1/20 0.36
HPRT1 P00492 1/20 0.36
GPR35 Q9HC97 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL16601759 0.96 HSP90AA1 (0.43) HSP90AA1ALDH1A1MAPTMPIPKM
SCHEMBL11779729 0.82 HSP90AA1 (0.60) HSP90AA1ALDH1A1MAPTMPITTR
SCHEMBL16601756 0.78 HSP90AA1 (0.60) HSP90AA1ALDH1A1MAPTMPIPKM
SCHEMBL11780528 0.78 HSP90AA1 (0.62) HSP90AA1ALDH1A1MAPTTTRHKDC1
SCHEMBL16601749 0.75 HSP90AA1 (0.62) HSP90AA1ALDH1A1MAPTMPIPKM
SCHEMBL16601757 0.75 HSP90AA1 (0.65) HSP90AA1ALDH1A1MAPTMPIPKM
SCHEMBL11781032 0.75 HSP90AA1 (0.72) HSP90AA1ALDH1A1MAPTMPITTR
SCHEMBL11781023 0.75 HSP90AA1 (0.72) HSP90AA1ALDH1A1MAPTMPITTR
SCHEMBL9274927 0.74 HSP90AA1 (0.63) HSP90AA1ALDH1A1MAPTMPIPKM
SCHEMBL16656204 0.73 HSP90AA1 (0.66) HSP90AA1ALDH1A1MAPTMPITTR

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