SCHEMBL8680981

SCHEMBL8680981

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
PDE4D Q08499 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8681153 0.90 PDE4D (0.31) PDE4DSIRT6
SCHEMBL8679980 0.86 LMNA (0.34) HTTPDE4DALDH1A1LMNA
SCHEMBL8680712 0.85 TDP1 (0.33) HTTPDE4DALDH1A1MEN1KMT2A
SCHEMBL8680021 0.83 LMNA (0.37) HTTPDE4DALDH1A1MEN1KMT2A
SCHEMBL8680262 0.82 AKR1C3 (0.32) HTT
SCHEMBL8680481 0.81 AKR1C3 (0.33) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL8680566 0.80 MEN1 (0.41) HTTPDE4DALDH1A1MEN1KMT2A
SCHEMBL8680227 0.80 MAPT (0.43) HTTPDE4DALDH1A1MEN1KMT2A
SCHEMBL8682626 0.79 MEN1 (0.49) HTTPDE4DALDH1A1MEN1KMT2A
SCHEMBL8680022 0.79 MAPT (0.36) HTTALDH1A1MEN1KMT2ALMNA

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