SCHEMBL16601627

SCHEMBL16601627

C/N=C1\c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.64
HPRT1 P00492 1/20 0.54
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 3/20 0.44
S100A4 P26447 3/20 0.44
PTPRC P08575 3/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 1/20 0.42
HIF1A Q16665 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42

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
SCHEMBL16656170 1.00 HSP90AA1 (0.64) HSP90AA1HPRT1MAPTKMT2AMEN1
SCHEMBL17208866 0.86 HSP90AA1 (0.50) HSP90AA1HPRT1MAPTKMT2AMEN1
SCHEMBL11781023 0.83 HSP90AA1 (0.72) HSP90AA1HPRT1MAPTKMT2AMEN1
SCHEMBL11781032 0.83 HSP90AA1 (0.72) HSP90AA1HPRT1MAPTKMT2AMEN1
SCHEMBL11779478 0.81 HSP90AA1 (0.66) HSP90AA1HPRT1MAPTKMT2AMEN1
SCHEMBL11779474 0.81 HSP90AA1 (0.66) HSP90AA1HPRT1MAPTKMT2AMEN1
SCHEMBL12111761 0.81 HSP90AA1 (0.80) HSP90AA1HPRT1MAPTKMT2AMEN1
SCHEMBL12396376 0.81 HSP90AA1 (0.45) HSP90AA1HPRT1MAPTKMT2AMEN1
SCHEMBL11694409 0.81 HSP90AA1 (0.76) HSP90AA1HPRT1MAPTKMT2AMEN1
SCHEMBL11694416 0.81 HSP90AA1 (0.76) HSP90AA1HPRT1MAPTKMT2AMEN1

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