SCHEMBL8680592

SCHEMBL8680592

CCN1c2ccccc2SC12Oc1c(cc([N+](=O)[O-])cc1OC)C=C2c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CBLB Q13191 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8684906 0.89 MAPK1 (0.34) MAPTKDM4EATMSMN1; SMN2MAPK1
SCHEMBL8684861 0.89 SMN1; SMN2 (0.35) MAPTKDM4EATMSMN1; SMN2MAPK1
SCHEMBL8684895 0.83 SNCA (0.34) MAPTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8680364 0.83 SMN1; SMN2 (0.35) MAPTKDM4EATMSMN1; SMN2MAPK1
SCHEMBL8681147 0.81 MAPK1 (0.36) MAPTKDM4EATMSMN1; SMN2MAPK1
SCHEMBL8680050 0.80 SMN1; SMN2 (0.37) MAPTKDM4EATMSMN1; SMN2MAPK1
SCHEMBL8682116 0.79 SNCA (0.39) MAPTKDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL8862534 0.79 MAPK1 (0.35) MAPTKDM4EATMSMN1; SMN2MAPK1
SCHEMBL8679989 0.78 SMN1; SMN2 (0.34) MAPTKDM4EATMSMN1; SMN2MAPK1
SCHEMBL8680682 0.77 MAPK1 (0.35) MAPTKDM4EATMSMN1; SMN2MAPK1

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