SCHEMBL8680682

SCHEMBL8680682

COc1cc([N+](=O)[O-])cc2c1OC1(Sc3ccccc3N1C)C(C(C)C)=C2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 6/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
HTT P42858 1/20 0.31
HTR1A P08908 1/20 0.31
SNCA P37840 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PKM P14618 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
SCHEMBL8680050 0.89 SMN1; SMN2 (0.37) MAPK1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8681147 0.86 MAPK1 (0.36) MAPK1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8684861 0.85 SMN1; SMN2 (0.35) MAPK1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8679989 0.84 SMN1; SMN2 (0.34) MAPK1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8862534 0.84 MAPK1 (0.35) MAPK1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8680364 0.82 SMN1; SMN2 (0.35) MAPK1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8684906 0.80 MAPK1 (0.34) MAPK1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8680928 0.79 SNCA (0.41) MAPK1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8680017 0.77 SNCA (0.44) MAPK1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8680592 0.77 MAPT (0.33) MAPK1SMN1; SMN2MAPTLMNAALDH1A1

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