SCHEMBL16601719

SCHEMBL16601719

O=[N+]([O-])c1cc(/N=C2\c3ccccc3-c3ccc(-c4ccc(CO)cc4)cc32)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
HSP90AA1 P07900 3/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
MPI P34949 1/20 0.40
GALK1 P51570 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
KMT2A Q03164 4/20 0.37
PDK2 Q15119 1/20 0.37
MEN1 O00255 3/20 0.35
PTPRC P08575 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MCL1 Q07820 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 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
SCHEMBL16601628 0.76 HSP90AA1 (0.52) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL16601712 0.71 MAPT (0.40) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL16601751 0.71 HSP90AA1 (0.47) MAPTHSP90AA1ALDH1A1PKMMPI
SCHEMBL16601755 0.70 ALDH1A1 (0.68) MAPTALDH1A1KMT2APDK2MEN1
SCHEMBL11786497 0.70 MAPT (0.68) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL11786504 0.70 MAPT (0.68) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL2569005 0.70 TSHR (0.52) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL16601699 0.68 S100A4 (0.48) MAPTHSP90AA1ALDH1A1PKMMPI
SCHEMBL16601726 0.68 MAPT (0.47) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL16656351 0.68 MAPT (0.47) MAPTHSP90AA1CDK5CDK5R1NCOA1

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-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