SCHEMBL8680481

SCHEMBL8680481

COc1cc([N+](=O)[O-])c([N+](=O)[O-])c2c1OC1(C=C2)N(C)c2c(-c3ccccc3)cccc2C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GFER P55789 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 3/20 0.31
ALDH1A1 P00352 2/20 0.31
PLIN1 O60240 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8681973 0.91 AKR1C3 (0.32) AKR1C3AKR1C2NPC1CASP3RAB9A
SCHEMBL8680712 0.89 TDP1 (0.33) LMNAMEN1KMT2AGFERHTT
SCHEMBL8680091 0.89 ALDH1A1 (0.32) AKR1C3AKR1C2NPC1CASP3RAB9A
SCHEMBL8684873 0.87 PDCD1 (0.32) AKR1C3AKR1C2NPC1CASP3RAB9A
SCHEMBL8680262 0.87 AKR1C3 (0.32) AKR1C3AKR1C2RAB9AHTT
SCHEMBL8680021 0.87 LMNA (0.37) LMNAMEN1KMT2AGFERHTT
SCHEMBL8680227 0.85 MAPT (0.43) LMNAMEN1KMT2AGFERKDM4E
SCHEMBL8680206 0.84 ALDH1A1 (0.35) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL8684926 0.83 MEN1 (0.38) AKR1C3AKR1C2NPC1LMNAMEN1
SCHEMBL8680094 0.81 MAPT (0.40) NPC1CASP3RAB9ASENP7LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed