SCHEMBL8680206

SCHEMBL8680206

COc1cc2c(c(OC)c1[N+](=O)[O-])C=CC1(O2)N(C)c2c(-c3ccccc3)cccc2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 5/20 0.34
GAA P10253 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
TUBB4A P04350 3/20 0.34
TUBB P07437 3/20 0.34
TUBA3C P0DPH7 3/20 0.34
TUBA1B P68363 3/20 0.34
TUBA4A P68366 3/20 0.34
TUBB4B P68371 3/20 0.34
TUBB3 Q13509 3/20 0.34
TUBB2A Q13885 3/20 0.34
TUBB8 Q3ZCM7 3/20 0.34
TUBA3E Q6PEY2 3/20 0.34
TUBA1A Q71U36 3/20 0.34
TUBA1C Q9BQE3 3/20 0.34

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
SCHEMBL8680052 0.87 ALDH1A1 (0.35) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL8680414 0.87 MEN1 (0.35) ALDH1A1MEN1KMT2AGFERMAPT
SCHEMBL8681106 0.85 MAPT (0.48) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL8680481 0.84 AKR1C3 (0.33) ALDH1A1MEN1KMT2AGFERMAPT
SCHEMBL8682380 0.83 MEN1 (0.41) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL8680067 0.82 MEN1 (0.36) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680091 0.81 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AGFERTUBB4A
SCHEMBL8680648 0.81 MEN1 (0.34) MEN1KMT2AGFERMAPTGAA
SCHEMBL8681085 0.80 MAPT (0.38) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL8681973 0.80 AKR1C3 (0.32) ALDH1A1MEN1KMT2AGFERMAPT

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