SCHEMBL8681973

SCHEMBL8681973

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
LMNA P02545 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MEN1 O00255 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
S1PR1 P21453 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
SCHEMBL8684873 0.93 PDCD1 (0.32) AKR1C3AKR1C2NPC1CASP3RAB9A
SCHEMBL8680481 0.91 AKR1C3 (0.33) AKR1C3AKR1C2NPC1CASP3RAB9A
SCHEMBL8680361 0.90 TDP1 (0.33) LMNAMEN1GFERKMT2AMAPT
SCHEMBL8684897 0.88 MEN1 (0.31) MEN1GFERKMT2AS1PR1
SCHEMBL8680091 0.88 ALDH1A1 (0.32) AKR1C3AKR1C2NPC1CASP3RAB9A
SCHEMBL8684891 0.88 AKR1C3 (0.32) AKR1C3AKR1C2RAB9A
SCHEMBL8685147 0.87 LMNA (0.36) LMNAMEN1GFERKMT2AMAPT
SCHEMBL8680131 0.85 MAPT (0.42) LMNAMEN1GFERKMT2AMAPT
SCHEMBL30612737 0.85 MAPT (0.42) LMNAMEN1GFERKMT2AMAPT
SCHEMBL8680127 0.84 MAPT (0.32) AKR1C3AKR1C2MEN1GFERKMT2A

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