SCHEMBL8680262

SCHEMBL8680262

COc1cc([N+](=O)[O-])c([N+](=O)[O-])c2c1OC1(C=C2)N(C)c2c(-c3ccccc3)c(-c3ccccc3)cc(-c3ccccc3)c2C1(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
RAB9A P51151 1/20 0.30
HTT P42858 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
SCHEMBL8862753 0.91 AKR1C3 (0.32) AKR1C3AKR1C2
SCHEMBL8684891 0.91 AKR1C3 (0.32) AKR1C3AKR1C2RAB9A
SCHEMBL8680481 0.87 AKR1C3 (0.33) AKR1C3AKR1C2RAB9AHTT
SCHEMBL8680052 0.84 ALDH1A1 (0.35) AKR1C3AKR1C2HTT
SCHEMBL8680137 0.84 MEN1 (0.34) AKR1C3AKR1C2
SCHEMBL8680981 0.82 HTT (0.33) HTT
SCHEMBL8680712 0.82 TDP1 (0.33) HTT
SCHEMBL8684916 0.81 MEN1 (0.37) AKR1C3AKR1C2RAB9A
SCHEMBL8679980 0.81 LMNA (0.34) HTT
SCHEMBL8680021 0.79 LMNA (0.37) HTT

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