SCHEMBL16601750

SCHEMBL16601750

CCC(CO)N=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.53
HPRT1 P00492 1/20 0.47
MAPT P10636 8/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MCL1 Q07820 1/20 0.40
TTR P02766 1/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MAPK1 P28482 7/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GPR35 Q9HC97 1/20 0.37
CA1 P00915 1/20 0.36

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
SCHEMBL16601760 0.84 MEN1 (0.39) HSP90AA1HPRT1MAPTKDM4EKMT2A
SCHEMBL16656170 0.78 HSP90AA1 (0.64) HSP90AA1HPRT1MAPTKDM4EKMT2A
SCHEMBL16601627 0.78 HSP90AA1 (0.64) HSP90AA1HPRT1MAPTKDM4EKMT2A
SCHEMBL16601765 0.74 HSP90AA1 (0.52) HSP90AA1HPRT1MAPTKDM4EKMT2A
SCHEMBL4064475 0.74 HSP90AA1 (0.65) HSP90AA1HPRT1MAPTKDM4EKMT2A
SCHEMBL11781032 0.73 HSP90AA1 (0.72) HSP90AA1HPRT1MAPTKDM4EKMT2A
SCHEMBL11781023 0.73 HSP90AA1 (0.72) HSP90AA1HPRT1MAPTKDM4EKMT2A
SCHEMBL16601756 0.72 HSP90AA1 (0.60) HSP90AA1HPRT1MAPTKDM4EKMT2A
SCHEMBL27907261 0.72 HPRT1 (0.51) HSP90AA1HPRT1MAPTKDM4EKMT2A
SCHEMBL12111761 0.71 HSP90AA1 (0.80) HSP90AA1HPRT1MAPTKDM4EKMT2A

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